uu.seUppsala University Publications
Change search
Refine search result
123 1 - 50 of 132
CiteExportLink to result list
Permanent link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Rows per page
  • 5
  • 10
  • 20
  • 50
  • 100
  • 250
Sort
  • Standard (Relevance)
  • Author A-Ö
  • Author Ö-A
  • Title A-Ö
  • Title Ö-A
  • Publication type A-Ö
  • Publication type Ö-A
  • Issued (Oldest first)
  • Issued (Newest first)
  • Created (Oldest first)
  • Created (Newest first)
  • Last updated (Oldest first)
  • Last updated (Newest first)
  • Disputation date (earliest first)
  • Disputation date (latest first)
  • Standard (Relevance)
  • Author A-Ö
  • Author Ö-A
  • Title A-Ö
  • Title Ö-A
  • Publication type A-Ö
  • Publication type Ö-A
  • Issued (Oldest first)
  • Issued (Newest first)
  • Created (Oldest first)
  • Created (Newest first)
  • Last updated (Oldest first)
  • Last updated (Newest first)
  • Disputation date (earliest first)
  • Disputation date (latest first)
Select
The maximal number of hits you can export is 250. When you want to export more records please use the Create feeds function.
  • 1. Arvidsson, Igor
    Adsorption of H, NHx, BHx and BBrx on a (110) Surface of c-BN: A Quantum Mechanical DFT Study2007In: Diamond and related materials, ISSN 0925-9635, E-ISSN 1879-0062, Vol. 16, p. 131-Article in journal (Refereed)
  • 2. Carbone, M
    et al.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Carlsson, Jan-Otto
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorgansik kemi.
    Diamond Nucleation on Hexagonal Boron Nitride: A Theoretical Investigation of the Influence of CH3 and Na Substituents1998In: J. Phys. Chem., Vol. 102, no 30, p. 5866-Article in journal (Refereed)
    Abstract [en]

    The effect of CH3 and Na on diamond nucleation on hexagonal boron nitride (h-BN) was investigated theoretically by using the DFT method. The methyl and sodium species were used as substituents on zigzag edge atoms of the basal plane. Outgrowths correspon

  • 3. Carbone, M
    et al.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Carlsson, Jan-Otto
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorgansik kemi.
    Diamond Nucleation on Hexagonal Boron Nitride: A Theoretical Investigation of the Influence of Nearest Substituents1997In: J. Phys. Chem., Vol. 101, no 9445Article in journal (Refereed)
  • 4. Carbone, Marilena
    et al.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Methanol adsorption on the Si(100)-2 × 1 surface: a first-principles calculation2005In: Condens. Matter, Vol. 17, p. 1289-1300Article in journal (Refereed)
    Abstract [en]

    The process of adsorption of methanol on a Si(100)-2 × 1 surface has been investigated theoretically, using density functional theory and a periodic boundary condition. The methanol adsorption on Si(100)-2 × 1 is known to be dissociative, resulting in hydrogen(methanol)–oxygen(surface) and oxygen(methanol)–silicon(surface) bond formation. Adsorption energies have been calculated here for five different surface sites for the methoxy fragment (top, bridge, cave, valley-bridge and pedestal). The top site was found to be energetically most favourable. Surface sites bridging Si atoms from the first and second atomic layers were found to be energetically equivalent to the top site. The effects of the position of the hydrogen fragment on the methoxy adsorption energy for the various adsorption sites were also investigated. These various hydrogen positions only influenced the adsorption energies marginally

  • 5.
    Choudhury, Sneha
    et al.
    Helmholtz Zentrum Berlin Mat & Energie GmbH, Inst Methods Mat Dev, Albert Einstein Str 15, D-12489 Berlin, Germany;Free Univ Berlin, Inst Chem & Biochem, Fabeckstr 36a, D-14195 Berlin, Germany.
    Kiendl, Benjamin
    Univ Wurzburg, Inst Organ Chem, D-97074 Wurzburg, Germany.
    Ren, Jian
    Helmholtz Zentrum Berlin Mat & Energie GmbH, Inst Methods Mat Dev, Albert Einstein Str 15, D-12489 Berlin, Germany;Free Univ Berlin, Dept Phys, Arnimallee 14, D-14195 Berlin, Germany.
    Gao, Fang
    Fraunhofer Inst Appl Solid State Phys IAF, Tullastr 72, D-79108 Freiburg, Germany;Max Planck Inst Mikrostrukturphys, Weinberg 2, D-06120 Halle, Germany.
    Knittel, Peter
    Fraunhofer Inst Appl Solid State Phys IAF, Tullastr 72, D-79108 Freiburg, Germany.
    Nebel, Christoph
    Fraunhofer Inst Appl Solid State Phys IAF, Tullastr 72, D-79108 Freiburg, Germany.
    Venerosy, Amelie
    CEA, LIST, Diamond Sensors Lab, F-91191 Gif Sur Yvette, France.
    Girard, Hugues
    CEA, LIST, Diamond Sensors Lab, F-91191 Gif Sur Yvette, France.
    Arnault, Jean-Charles
    CEA, LIST, Diamond Sensors Lab, F-91191 Gif Sur Yvette, France.
    Krueger, Anke
    Univ Wurzburg, Inst Organ Chem, D-97074 Wurzburg, Germany.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Petit, Tristan
    Helmholtz Zentrum Berlin Mat & Energie GmbH, Inst Methods Mat Dev, Albert Einstein Str 15, D-12489 Berlin, Germany.
    Combining nanostructuration with boron doping to alter sub band gap acceptor states in diamond materials2018In: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 6, no 34, p. 16645-16654Article in journal (Refereed)
    Abstract [en]

    Diamond is a promising metal-free photocatalyst for nitrogen and carbon dioxide reduction in aqueous environment owing to the possibility of emitting highly reducing solvated electrons. However, the wide band gap of diamond necessitates the use of deep UV to trigger a photochemical reaction. Boron doping introduces acceptor levels within the band gap of diamonds, which may facilitate visible-light absorption through defect-based transitions. In this work, unoccupied electronic states from different boron-doped diamond materials, including single crystal, polycrystalline film, diamond foam, and nanodiamonds were probed by soft X-ray absorption spectroscopy at the carbon K edge. Supported by density functional theory calculations, we demonstrate that boron close to the surfaces of diamond crystallites induce acceptor levels in the band gap, which are dependent on the diamond morphology. Combining boron-doping with morphology engineering, this work thus demonstrates that electron acceptor states within the diamond band gap can be controlled.

  • 6. Choudhury, Sneha
    et al.
    Petit, Tristan
    Ren, Jian
    Kiendl, Benjamin
    Gao, Fang
    Nebel, Christoph
    Girard, Hugues
    Arnault, Jean-Charles
    Ekimov, Evgeny
    Vlasov, Igor
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Krueger, Anke
    Aziz, Emad
    Altering Mid-Gap Acceptor Levels by Morphology Tuning of Boron Doped Diamonds2017Conference paper (Other academic)
    Abstract [en]

    Hydrogen terminated diamond is a very promising material for high energy photocatalytic reactions1 owing to its large band gap(5.5 eV) and a unique capability of generating solvated electrons due to its negative electron affinity.2 However, a major limitation to the photoexcitation process to create solvated electrons is the need for deep UV illumination. Introducing unoccupied electronic states within the band gap of diamonds by doping with boron could provide a potential pathway for photoexcitation using visible light.Previous reports on HRTEM and EELS study of B doped polycrystalline and nanocrystalline diamonds provide insights into the local B environment.4,5,6,7 However, since these are primarily electron in-electron out techniques, they do not provide sufficient information about the existence of acceptor levels in the band gap of diamonds that are associated with boron doping. X-ray spectroscopy techniques have been shown to be sensitive to the acceptor levels arising due to boron doping.3 However, their physical origin still remains unclear.Here we use soft X-ray absorption spectroscopy (XAS) to probe the unoccupied electronic states at the carbon K edge in different boron-doped diamond materials, ranging from single crystal and polycrystalline film to diamond foam and nanodiamonds with different sizes. XAS of carbon K edges for the different B doped diamonds were characterized using partial fluorescence yield at the BESSY II synchrotron facility. Combining these results with density functional theory calculations, here we elucidate the contribution of the environment of boron to these mid gap acceptor states that vary with the morphology of diamonds. These results could have important implications on the selection of a suitable diamond based visible-light photocatalysts.

  • 7. Choudhury, Sneha
    et al.
    Petit, Tristan
    Ren, Jian
    Kiendl, Benjamin
    Gao, Fang
    Nebel, Christoph
    Krüger, Anke
    Zhao, Shuainan
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Aziz, Emad
    Influence of size on boron acceptor levels in boron doped diamonds: An X-ray absorption spectroscopy study2017Conference paper (Other academic)
  • 8. Davydova, Marina
    et al.
    Stuchlik, Martin
    Rezek, Bohuslav
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Kromka, Alexander
    Sensing of phosgene by a porous-like nanocrystalline diamond layer with buried metallic electrodes2013In: Sensors and actuators. B, Chemical, ISSN 0925-4005, E-ISSN 1873-3077, Vol. 188, p. 675-680Article in journal (Refereed)
    Abstract [en]

    Nanocrystalline diamond with a porous-like morphology was used as the functional part of a semiconductor gas sensor. The device function is based on the two-dimensional p-type surface conductivity of intrinsic diamond with a H-terminated surface. Metallic electrodes are buried beneath the diamond film. Therefore, these electrodes are protected from harmful substances, and the electronic connection is facilitated by grain boundaries. The gas sensing properties of the sensor structure were examined using oxidising gases (i.e., phosgene, humid air) at various operating temperatures. A pronounced and selective increase by two orders of magnitude was found in the surface conductivity after sensor exposure to phosgene gas (20 ppm) at 140 degrees C. Density functional theory calculations indicated no direct charge transfer between the phosgene molecule and diamond. We present a model in which phosgene indirectly yet efficiently increases the H3O+ concentration, which consequently leads to multiplied electron transfer and a pronounced sensor response. 

  • 9.
    Elihn, Karine
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    A theoretical study of the thermal fragmentation of ferrocene2004In: Thin Solid Films, no 458, p. 325-329Article in journal (Refereed)
  • 10.
    Fromell, Karin
    et al.
    Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Medicine, Department of Immunology, Genetics and Pathology, Clinical Immunology.
    Forsberg, Pontus
    Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Microsystems Technology.
    Karlsson, Mikael
    Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Microsystems Technology.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Nikolajeff, Fredrik
    Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Microsystems Technology.
    Baltzer, Lars
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - BMC, Physical Organic Chemistry.
    Designed protein binders in combination with nanocrystalline diamond for use in high-sensitivity biosensors2012In: Analytical and Bioanalytical Chemistry, ISSN 1618-2642, E-ISSN 1618-2650, Vol. 404, no 6-7, p. 1643-1651Article in journal (Refereed)
    Abstract [en]

    A platform for diagnostic applications showing signal-to-noise ratios that by far surpass those of traditional bioanalytical test formats has been developed. It combines the properties of modified nanocrystalline diamond (NCD) surfaces and those of polyethylene oxide and polypropylene oxide based block copolymers for surface passivation and binder conjugation with a new class of synthetic binders for proteins. The NCD surfaces were fluorine-, hydrogen-, or oxygen-terminated prior to further biofunctionalization and the surface composition was characterized by X-ray photoelectron spectroscopy. In a proof of principle demonstration targeting the C-reactive protein, an ELISA carried out using an F-terminated diamond surface showed a signal-to-noise ratio of 3,900 which compares well to the signal-to-noise of 89 obtained in an antibody-based ELISA on a polystyrene microtiter plate, a standard test format used in most life science laboratories today. The increase in signal-to-noise ratio is to a large extent the result of extremely efficient passivation of the diamond surface. The results suggest that significant improvements can be obtained in standardized test formats using new materials in combination with new types of chemical coatings and receptor molecules.

  • 11.
    Hassan, Mir Mahadi
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Effect of Surface Termination on Diamond (100) Surface Electrochemistry2014In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 118, no 40, p. 22995-23002Article in journal (Refereed)
    Abstract [en]

    The combined effect of water adlayer composition and surface termination on diamond surface electrochemistyr, has been studied theoretically using Density Functional Theory (DFT) calculations. The terminating species included H, O(ontop), O(bridge), OH and NH2. The chemical composition of the water adlayer was altered by using a very thin layer of water only, or by introducing oxygen, ozone or hydroxonium ions (H3O+) into the adlayer. A partial electron transfer toward the atmospheric adlayer was observed for the situation with either an H- or NH2-terminated diamond surface. Corresponding calculations for oxygen-termination (O(ontop) or O(bridge)), did not render any significant amount of electron transfer. The situation was completely different for the situation with OH-termination. The degree of electron transfer was approximately of the same order as for H- and NH2-terminations. The presence of oxidative species like oxygen ozone and H(3)0(+) (or combinations thereof) were observed to significantly increase the degree of electron transfer for the situation with either NH2-, OH-, or H-terminated diamond (100)-2 x 1 surfaces. Adsorption energy calculations revealed, with some exceptions, a quite good correlation between diamond//adlayer adhesion strength and degree of interfacial electron transfer. The electron transfer process were further verified and analyzed by performing partial density of state (pDOS) calculations for some selected diamond//adlayer systems.

  • 12. Hultman, L.
    et al.
    Bareno, J.
    Flink, A.
    Söderberg, H.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Petrova, V.
    Odén, M.
    Green, J.E.
    Petrov, I.
    Interface structure in superhard TiN-SiN nanolaminates and nanocomposites: Films growth experiments and ab initio calculations2007In: Physical Review B Condensed Matter, ISSN 0163-1829, E-ISSN 1095-3795, Vol. 75, p. 155437-Article in journal (Refereed)
  • 13. Janssens, Stoffel D.
    et al.
    Drijkoningen, Sien
    Saitner, Marc
    Boyen, Hans-Gerd
    Wagner, Patrick
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Haenen, Ken
    Evidence for phase separation of ethanol-water mixtures at the hydrogen terminated nanocrystalline diamond surface2012In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 137, no 4, p. 044702-Article in journal (Refereed)
    Abstract [en]

    Interactions between ethanol-water mixtures and a hydrophobic hydrogen terminated nanocrystalline diamond surface, are investigated by sessile drop contact angle measurements. The surface free energy of the hydrophobic surface, obtained with pure liquids, differs strongly from values obtained by ethanol-water mixtures. Here, a model which explains this difference is presented. The model suggests that, due to a higher affinity of ethanol for the hydrophobic surface, when compared to water, a phase separation occurs when a mixture of both liquids is in contact with the H-terminated diamond surface. These results are supported by a computational study giving insight in the affinity and related interaction at the liquid-solid interface.

  • 14. JOHANSSON, E
    et al.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Physics, Department of Physics and Materials Science, Physics II. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. oorganisk kemi.
    Carlsson, Jan-Otto
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Physics, Department of Physics and Materials Science, Physics II. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Structural Chemistry. oorgansik kemi.
    DIAMOND NUCLEATION ON HEXAGONAL BORON-NITRIDE - AN AB-INITIO STUDY OF ENERGETICS1995In: JOURNAL OF PHYSICAL CHEMISTRY, ISSN 0022-3654, Vol. 99, no 34, p. 12781-12785Article in journal (Other scientific)
    Abstract [en]

    The nucleation of diamond on the zigzag and armchair edge atoms of the basal plane of hexagonal boron nitride (h-BN) has been investigated theoretically by using ab initio molecular orbital theory. The calculations have included the effects of electron co

  • 15.
    Karlsson, Johan
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Inorganic Chemistry.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Inorganic Chemistry.
    Adsorption of Growth Species on the c-BN(100) Surface2011In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 115, no 34, p. 16977-16983Article in journal (Refereed)
    Abstract [en]

    The cubic phase of boron nitride (c-BN) is an extremely promising multifunctional material. However, to exploit all possible applications, a successful route for large area chemical vapor deposition (CVD) of c-BN films is required. Adsorption of gaseous growth species onto the c-BN surface is one of the key elementary reactions in CVD growth of c-BN. In the present work, the ability of BH(x), BF(x), and NH(x) species (x = 0, 1, 2, 3) to act as growth species for CVD of c-BN, in an H-, F-, or H/F-saturated gas-phase, has been investigated using density functional theory (DFT) calculations. It was found that the most optimal growth species for CVD growth of c-BN are B, BH, BH(2), BF, BF(2), N, NH, and NH(2) in an H/F-saturated gas-phase, i.e., decomposition of the incoming BH(3), BF(3), and NH(3) growth species is very crucial for CVD growth of c-BN. It was also found that it would be most preferable to use a CVD method where the incoming BH(3), BF(3), and NH(3) growth species are separately introduced into the reactor, e.g., by using an atomic layer deposition (ALD) type of method.

  • 16.
    Karlsson, Johan
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Inorganic Chemistry.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Inorganic Chemistry.
    Halogen-Induced Reconstruction of the c-BN(100) Surface2011In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 115, no 46, p. 22910-22916Article in journal (Refereed)
    Abstract [en]

    The cubic phase of boron nitride (c-BN) is an extremely promising multifunctional material. However, to exploit all possible applications, large area chemical vapor deposition (CVD) of c-BN films is required. To be successful in the CVD growth of high-quality c-BN films, one must be able to stabilize the sp(3) hybridization of the surface atoms; and in the present study, the surface stabilizing effect of F and Cl on the B- and N-terminated c-BN(100)-(1 x 1) surfaces has been investigated using density functional theory (DFT) calculations. It was found that Cl, most probably, will induce large sterical hindrance on both the B- and N-terminated c-BN(100) surface. F, on the other hand, was found to be a promising surface stabilizing agent for the B- and N-terminated c-BN(100) surface. However, the F atoms must be abstracted with H atoms. It can therefore be concluded that the optimal gas-phase composition for growth of c-BN consists of a mixture of H and F.

  • 17.
    Karlsson, Johan
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Inorganic Chemistry.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Inorganic Chemistry.
    Hydrogen-Induced De/Reconstruction of the c-BN(100) Surface2010In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 114, no 8, p. 3516-3521Article in journal (Refereed)
    Abstract [en]

    The cubic phase of boron nitride (c-BN) is an extremely promising multifunctional material. However, to exploit all possible applications, large area chemical vapor deposition (CVD) of c-BN films is required. For a successful CVD growth of high-quality c-BN films one must obtain a deeper understanding about the structural and electronic properties of the dominant c-BN growth surfaces under CVD conditions, that is, the (100), (110), and (111) surfaces, and their modification in the presence of surface stabilizing atomic hydrogen (H). In the present study, the surface stabilizing effect of H on the B- and N-terminated (1 × 1), (2 × 1), (2 × 4), (2 × 4(3)), and c(2 × 2) surfaces of c-BN(100) has therefore been investigated using density functional theory (DFT) calculations. It was found that a 100% surface coverage of on-top H on the B-terminated c-BN(100) surfaces is not able to uphold an ideal bulk-like (1 × 1) structure. However, the H atoms were able to uphold a bulk-like bond angle and bond length for the surface B atoms on the 100% H-covered B-terminated c-BN(100)-(2 × 1) surface. For the N-terminated c-BN(100) surfaces opposite observations were made. The H atoms were found to chemisorb strongly to both the B-terminated c-BN(100)-(2 × 1) surface and the N-terminated c-BN(100)-(1 × 1) surface. The process of H abstraction, with gaseous atomic H, was found to be significantly more favorable for the B-terminated c-BN(100)-(2 × 1) surface than for the N-terminated c-BN(100)-(1 × 1) surface. It was also found that N radical sites are more stable toward radical surface site collapse than B radical sites.

  • 18.
    Karlsson, Johan
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Kinetic Considerations of Gas-Phase Abstraction of H and F from the c-BN(100) Surface2013In: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 548, p. 280-287Article in journal (Refereed)
    Abstract [en]

    The cubic phase of boron nitride (c-BN) is an extremely promising multifunctional material. To exploit all possible applications, large area chemical vapor deposition (CVD) of c-BN films is required. To maintain the cubic (sp(3)) structure of the surface atoms, the growing surface is covered with surface stabilizing species. However, the surface stabilizing species must also be able to undergo abstraction reactions with gaseous species and, hence, leave room for an incoming B-or N-containing growth species for a continuous c-BN growth to occur. The abstraction process is therefore a central elementary reaction step in CVD growth of c-BN. Hydrogen, H, and fluorine, F, have earlier been found to be promising as surface stabilizing species for both the B-and N-terminated c-BN(100) surfaces - the sp(2) structure is maintained and both H and F bind strongly to the surface. In addition, of highest importance is the chemical capability to remove these terminating species from the surface, leaving a highly reactive surface site (i.e., gas-phase abstraction). The present study has therefore focused on, by using density functional theory (DFT), the kinetics of the H-or F-abstraction processes from the B-or N-terminated c-BN(100) surface. The energetic and structural evolution for gaseous F approaching a surface-binding F species, show that F radicals are not able to abstract chemisorbed F atoms, i.e., a gas-phase containing only F is unfavorable for growth of c-BN(100). On the other hand, H radicals are able to abstract chemisorbed H atoms. However, a minor barrier of energy was observed for the N-terminated surface (+ 13 kJ/mol). The abstraction of F from the B-terminated surface, with gaseous H radicals, was found to be highly probable from both thermodynamic and kinetic considerations, being also the situation for the F-covered N-terminated surface (with a minor energy barrier of + 8 kJ/mol). In addition, the energy evolution for the approaching F to a surface H, clearly shows that any abstraction reaction will never take place. Hence, the results within the present study clearly show that at realistic deposition temperatures, it is only gaseous H that will have the capacity to remove H or F from the c-BN(100) surface.

  • 19.
    Karlsson, Johan
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Kinetic Considerations of Gas-Phase Adsorption of Growth Species on the c-BN(100) Surface2014In: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 564, p. 246-252Article in journal (Refereed)
    Abstract [en]

    The cubic phase of boron nitride (c-BN) is an extremely promising multifunctional material. However, to exploit all possible applications, a successful route for large area chemical vapor deposition (CVD) of c-BN films is required. Adsorption of gaseous growth species onto the c-BN surface is one of the key elementary reactions in CVD growth of c-BN. In the present study, adsorption of BHx, BFx, and NHx species (x = 0, 1, 2, 3) onto the B- and N-terminated c-BN(100) surfaces has been investigated using density functional theory (DFT) calculations. It was found that adsorption of BHx is an activation less process.

  • 20. Kiendl, Benjamin
    et al.
    Levitre, Guillaume
    Hadzifejzovic, Emina
    Lounasvuori, Mailis
    Venerosy, Amelie
    Choudhury, Sneha
    Petit, Tristan
    Aziz, Emad
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Girard, Hugues
    Arnault, Jean-Charles
    Foord, John
    Masson, Geraldine
    Krueger, Anke
    Transition-Metal Functionalized Nanodiamond for Photocatalytic Applications2017Conference paper (Other academic)
  • 21. Kloss, Frank
    et al.
    Gassner, Robert
    Preiner, Johannes
    Ebner, Andreas
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Inorganic Chemistry.
    Hächl, Oliver
    Tuli, Tarkan
    Rasse, Michael
    Moser, Doris
    Laimer, Klaus
    Nickel, Eike
    Laschober, Gerhard
    Brunauer, Regina
    Klima, Günther
    Hinterdorfer, Peter
    Steinmüller-Nethl, Doris
    Lepperdinger, Günter
    The role of oxygen termination of nanocrystalline diamond on immobilisation of BMP-2 and subsequent bone formation2008In: Biomaterials, ISSN 0142-9612, E-ISSN 1878-5905, Vol. 29, no 16, p. 2433-2442Article in journal (Refereed)
    Abstract [en]

    Medical implants are increasingly often inserted into bone of frail patients, who are advanced in years. Due to age, severe trauma or pathology-related bone changes, osseous healing at the implant site is frequently limited. We were able to demonstrate that coating of endosseous implants with nanocrystalline diamond (NCD) allows stable functionalization by means of physisorption with BMP-2. Strong physisorption was shown to be directly related to the unique properties of NCD, and BMP-2 in its active form interacted strongly when NCD was oxygen-terminated. The binding of the protein was monitored under physiological conditions by single molecule force spectroscopy, and the respective adsorption energies were further substantiated by force-field-calculations. Implant surfaces refined in such a manner yielded enhanced osseointegration in vivo, when inserted into sheep calvaria. Our results further suggest that this technical advancement can be readily applied in clinical therapies with regard to bone healing, since primary human mesenchymal stromal cells strongly activated the expression of osteogenic markers when being cultivated on NCD physisorbed with physiological amounts of BMP-2.

  • 22.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    A theoretical approach to the energetic stability and geometry of hydrogen and oxygen terminated diamond (100) surfaces2009Conference paper (Refereed)
  • 23.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Adsorption of hydrocarbon species on a stepped diamond (111) surface1997In: PHYSICAL REVIEW B-CONDENSED MATTER, ISSN 0163-1829, Vol. 56, no 23, p. 15452-15458Article in journal (Other scientific)
    Abstract [en]

    The process of adsorption of H, CH3, CH2, C2H, and C2H2, on various steps on the diamond (111) surface, has been investigated theoretically. The first-principles density-functional theory was then used in order to calculate the binding energies and equili

  • 24.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorgansik kemi.
    CVD growth of cubic boron nitride; A theoretical/experimantel approach2006In: Wide Band Gap Materials and New Developments, 2006, Research Signpost 37/661 (2), Fort P. O., rivandrum-695 023; Kerala, India , 2006, p. 41-67Chapter in book (Refereed)
    Abstract [en]

    Cubic boron nitride (c-BN) exhibits an extraordinary combination of physical and chemical properties (hardness, High thermal conductivity, transparency) which is comparable or even superior to diamond in what concerns its ability to be doped as both n- and p-type semiconductor, and its higher chemical stability and lower reactivity at high temperatures. All these properties strongly suggest that c-BN is an extremely promising multifunctional material, which could be tailored for a very large range of advanced applications, such as micro- and opto-electronics, electron emission devices, radiation detection, biosensing, high temperature and/or radiation resistant devices.

  • 25.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    CVD growth of cubic boron nitride: A theoretical/experimental approach2006In: Thin Solid Films, Vol. 515, no 2, p. 401-406Article in journal (Refereed)
    Abstract [en]

    Similarities and dissimilarities in the growth of diamond vs. c-BN, in the present series of investigations, have been studied using quantum mechanical calculations. Hydrogen species have been observed to be very effective in stabilising both types of compounds. Very large similarities have also been observed when considering the adsorption of various growth species to these materials. However, it was found necessary to avoid mixtures of B- and N-containing species in the gas phase during c-BN growth, since they should most probably result in a mixture of these species also on the (111) and (110) surfaces. In addition, a careful gas phase design was found necessary in order to avoid a preferential initial growth of h-BN. These theoretical results can be used as guide lines in striving towards a thin film deposition of cubic boron nitride using gentle CVD methods like atomic layer deposition.

  • 26.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Effect of diamond surface modification by biomolecular adhesion –: a quantum mechanical study2019In: Novel Aspects of Diamond: from growth to applications / [ed] Nianjun Yang, Springer, 2019Chapter in book (Refereed)
  • 27.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Effect of Substitutional or Chemisorbed Nitrogen on the Diamond (100) Growth Process2009Conference paper (Refereed)
  • 28.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Gas-phase stability of c-BN clusters2001In: JOURNAL DE PHYSIQUE IV, ISSN 1155-4339, Vol. 11, no PR3, p. 423-430Article in journal (Refereed)
    Abstract [en]

    The stability of various cluster-sizes of H- and F-terminated c-BN, compared to corresponding clusters of h-BN, has been investigated theoretically using the ab initio molecular orbital method at the MP2 order of theory. For comparison, a corresponding in

  • 29.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Migration of Species on a Diamond (111) Surface1998In: Proceedings of the second symposium on Diamond Materials V. Vol. 97-32, 1998Conference paper (Refereed)
  • 30.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Precursor design in c-BN growth2002In: Diamond and Related Materials, Vol. 11, p. 1300-1304Article in journal (Refereed)
  • 31.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Precursor Design of Vapour Deposited Cubic Boron Nitride Versus Diamond2003In: Proceedings of the Estonian Academy of Sciences, Physics Mathematics, Estonia, 2003Conference paper (Refereed)
  • 32.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Reaction of Diamond Surfaces with Halogen-Containing Species1995In: Mat. Res. Soc. Symp. Proc. 416, 1995, p. 287-Conference paper (Refereed)
  • 33.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Substitutional n-type doping of diamond2003In: Computational Materials Science, Vol. 27, p. 23-29Article in journal (Refereed)
  • 34.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Substitutional n-Type Doping of Diamond during Growth. A Theoretical Approach Using Extremes in Surface Chemistry.2002In: Phys.Stat.Sol. (a), Vol. 193, no 1, p. 409-414Article in journal (Refereed)
  • 35.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Surface Chemistry of Diamond2015In: Novel Aspects Of Diamond: From Growth To Applications, Springer Berlin/Heidelberg, 2015, p. 53-83Chapter in book (Refereed)
    Abstract [en]

    The diamond material possesses very attractive properties, such as superior electronic properties (when doped), in addition to a controllable surface termination. During the process of diamond synthesis, the resulting chemical properties will mainly depend on the adsorbed species. These species will have the ability to influence both the chemical and electronic properties of diamond. All resulting (and interesting) properties of a terminated diamond surface, make it clear that surface termination is very important for especially those applications in which diamond can function as an electrode material. Theoretical modeling has during the last decades been proven to become highly valuable in the explanation and prediction of experimental results. Simulation of the dependence of various factors influencing the surface reactivity, will aid important information about surface processes including surface stability, modification and functionalization. Other examples include thin film growth mechanisms and surface electrochemistry.

  • 36.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Surface Modification of Diamond for Chemical Sensor Applications: simulations and Modeling2012In: Chemical Sensors: Simulation and Modeling, New York: Momentum Press , 2012Chapter in book (Refereed)
  • 37.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Surface Processes During Diamond Growth1999In: Proceedings of ADC/FCD ´99, 1999, p. 42-47Conference paper (Refereed)
  • 38.
    Larsson, Karin
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Surface Properties of Diamond under Atmospheric Conditions: A Quantum Mechanical Approach2005In: New Diamond and Frontier Carbon Technology Vol. 15 No. 5, 2005, p. 229-246Chapter in book (Refereed)
  • 39.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Surface properties of diamond under atmospheric conditions: A quantum mechanical approach.2005In: New Diamond and Frontier Carbon Technologies, Springer, 2005Chapter in book (Refereed)
  • 40.
    Larsson, Karin
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    The Effect of Dopants on Diamond Surface Properties and Growth2019In: Novel Aspects of Diamond: From Growth to Applications / [ed] Nianjun Yang, Springer, 2019, p. 31-52Chapter in book (Refereed)
    Abstract [en]

    The purpose with the present studies has been to support and explain the experimental observations made regarding the effect by N-, P-, S- and B-doping on the diamond (111), (100)−2 × 1 and (110) growth rate, respectively. All surfaces were assumed to be H-terminated. Density functional theory calculations were used, based on a plane wave approach under periodic boundary conditions. It was shown that the surface H abstraction reaction is most probably the rate-limiting step during diamond growth. Moreover, the results showed that it is N, substitutionally positioned within the upper diamond surface, that will cause the growth rate improvement, and not nitrogen chemisorbed onto the growing surface in the form of either NH (or NH2). These results coupled very strongly to experimental counterparts. For the situation with P doping, there were no visible energy barrier obtained for the approaching H radical to any of the diamond surface planes. Hence, the growth rate must be appreciably increased as a function of doping with P. It was furthermore observed that S and B doping will lead to anomalous changes in the diamond growth rate (i.e., either increase or decrease), depending on the position of these two dopants in the lattice. These phenomena are also strongly supported by experimental observations where there are both increasing and decreasing effects of the diamond growth rate by S and B doping.

  • 41.
    Larsson, Karin
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Björkman, H
    Technology, Department of Materials Science. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry.
    Hjort, K
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry.
    Role of water and oxygen in wet- and dry-oxidation of diamond2001In: J. Appl. Phys., Vol. 90, p. 1026-1034Article in journal (Refereed)
  • 42.
    Larsson, Karin
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Carlsson, Jan-Otto
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Incorporation of C into growth steps of diamond (111)2001In: PHYSICA STATUS SOLIDI A-APPLIED RESEARCH, ISSN 0031-8965, Vol. 186, no 2, p. 319-330Article in journal (Refereed)
    Abstract [en]

    Different surface processes occuring during growth of diamond (111) have theoretically been investigated by using various quantum mechanical methods (including molecular dynamic simulations). A final incorporation of C-containing growth precursors into th

  • 43.
    Larsson, Karin
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Carlsson, Jan-Otto
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Partial electron transfer during vapor growth of diamond on a (111) surface1999In: JOURNAL OF PHYSICAL CHEMISTRY B, ISSN 1089-5647, Vol. 103, no 14, p. 2735-2739Article in journal (Other scientific)
    Abstract [en]

    During diamond growth, surface vacancies are formed and diamond grows by adding carbon-carrying species to these vacancies. In the present investigation, the correlation between adsorption energies and accompanying partial electron transfer in the newly f

  • 44.
    Larsson, Karin
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Carlsson, Jan-Otto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Partial Electron Transfer during Vapor Growth of Diamond on a (111) Surface1999In: Journal of Physical Chemistry, Vol. 103, p. 2735-Article in journal (Refereed)
  • 45.
    Larsson, Karin
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Carlsson, Jan-Otto
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Surface migration during diamond growth studied by molecular orbital calculations1999In: PHYSICAL REVIEW B-CONDENSED MATTER, Vol. 59, no 12, p. 8315-8322Article in journal (Refereed)
    Abstract [en]

    Migration of various important species (H, CH3, CH2, C2H, and C2H2) on a diamond (111) surface has been investigated theoretically, using a cluster approach and the second-order Møller-Plesset perturbation theory. The order of the energies (barriers) obtained for a single jump between two neighboring radical sites is CH2<H<C2H≈CH3 (52, 248, 350, and 353 kJ/mol, respectively). The C2H2 species is assumed to migrate by an alternating onefold and difold site adsorption to the surface. The corresponding barrier obtained for C2H2 is 186 kJ/mol, which is somewhere in between that of CH2 and H. The present type of surface migration of chemisorbed species will, with one exception, be energetically favorable in comparison to any desorption process. In the case of C2H2, a desorption process will be energetically favorable.

  • 46.
    Larsson, Karin
    et al.
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Carlsson, Jan-Otto
    Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Materials Chemistry, Inorganic Chemistry. oorganisk kemi.
    Surface processes in cubic boron nitride growth: A theoretical study1999In: JOURNAL OF PHYSICAL CHEMISTRY B, ISSN 1089-5647, Vol. 103, no 31, p. 6533-6538Article in journal (Other scientific)
    Abstract [en]

    Various surface processes for the system B/N/H/F occurring during CVD growth of c-BN (111) have been investigated theoretically, using quantum mechanical methods. Both F and H species were found to be efficient as surface stabilizing agents. Mainly the H-

  • 47.
    Larsson, Karin
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Carlsson, Jan-Otto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Lunell, Sten
    An Ab Initio Study of the Nucleation of Diamond on the Edges of the Graphitic (111) Plane1994In: Journal of Physical Chemistry, p. 5019-Article in journal (Refereed)
  • 48.
    Larsson, Karin
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Carlsson, Jan-Otto
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Lunell, Sten
    Nearest-Neighbour Influence on Hydrocarbon Adsorption on Diamond (111): Studied by Ab Initio Calculations1995In: Physical Review B Condensed Matter, ISSN 0163-1829, E-ISSN 1095-3795, p. 10003-Article in journal (Refereed)
  • 49.
    Larsson, Karin
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Lunell, Sten
    Adsorption of Halogen-Containing Methane on Diamond1998In: Diamond and related materials, ISSN 0925-9635, E-ISSN 1879-0062, p. 1138-Article in journal (Refereed)
  • 50.
    Larsson, Karin
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
    Lunell, Sten
    Stability of Hydrogen Terminated Diamond (111) Surfaces1997In: Journal of Physical Chemistry, p. 76-Article in journal (Refereed)
123 1 - 50 of 132
CiteExportLink to result list
Permanent link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf