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Zhang, Z., Leifer, K., Ahuja, R. & Luo, W. (2025). Design of planar 2D semiconductors incorporating sp²-hybridized group 13 metals with boron, carbon, and nitrogen. Nano Energy, 146, Article ID 111550.
Open this publication in new window or tab >>Design of planar 2D semiconductors incorporating sp²-hybridized group 13 metals with boron, carbon, and nitrogen
2025 (English)In: Nano Energy, ISSN 2211-2855, E-ISSN 2211-3282, Vol. 146, article id 111550Article in journal (Refereed) Published
Abstract [en]

The sp2-hybridization is key to understand structures of 2D materials with light p-block elements. However, hunting for sp2-hybridized 2D materials with heavy p-block elements remains challenging due to weaker π-bonding and increased steric effects. Here we proposed design principles for 2D materials based on carbon nitride with adjacent Lewis-acidic center of group IIIA elements. We introduce a family of 2D materials XB9C4N6 (X = Al, Ga, In and Tl) with high thermodynamic stability. Density functional theory (DFT) calculations reveal that XB9C4N6 exhibit a polycyclic lattice with high delocalized π electrons, primarily from B6 ring, which play the key role in the hole and electron transports. These materials exhibit small electron effective mass of ∼ 0.28 m0, suitable bandgaps of ∼ 1.2 eV and strong light absorption peaks of violet, red and near-infrared lights, which cover the solar spectral irradiance. Notably, AlB9C4N6 emerges as an environmentally friendly semiconductor for electronics and photovoltaic devices. The design principles will enrich the fundamental understanding of π-conjugated heavy p-block elements and family of sp2-hybridized 2D materials.

Place, publisher, year, edition, pages
Elsevier, 2025
Keywords
2D materials, Multiple-bonded group IIIA metals, Band gap engineering, Optical absorption, Photovoltaics
National Category
Condensed Matter Physics Materials Chemistry
Identifiers
urn:nbn:se:uu:diva-572841 (URN)10.1016/j.nanoen.2025.111550 (DOI)001611900500001 ()
Funder
Swedish Research Council, 2020-04410Swedish Research Council, 2019-05317
Available from: 2025-12-09 Created: 2025-12-09 Last updated: 2025-12-09Bibliographically approved
Malesys, V., Duan, T., Denys, E., Li, H., Leifer, K. & Simon, L. (2025). E-beam fluorinated CVD graphene: in-situ XPS study on stability and NH3 adsorption doping effect. Nanotechnology, 36(9), Article ID 095701.
Open this publication in new window or tab >>E-beam fluorinated CVD graphene: in-situ XPS study on stability and NH3 adsorption doping effect
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2025 (English)In: Nanotechnology, ISSN 0957-4484, E-ISSN 1361-6528, Vol. 36, no 9, article id 095701Article in journal (Refereed) Published
Abstract [en]

Graphene exhibits promise in gas detection applications despite its limited selectivity. Functionalization with fluorine atoms offers a potential solution to enhance selectivity, particularly towards ammonia (NH+) molecules. This article presents a study on electron-beam fluorinated graphene (FG) and its integration into gas sensor platforms. We begin by characterizing the thermal stability of fluorographene, demonstrating its resilience up to 450 °C. Subsequently, we investigate the nature of NH3 interaction with FG, exploring distinct adsorption energies to address preferential adsorption concerns. Notably, we introduce an innovative approach utilizing x-ray photoelectron spectroscopy cartography for simultaneous analysis of fluorinated and pristine graphene, offering enhanced insights into their properties and interactions. This study contributes to advancing the understanding and application of FG in gas sensing technologies.

Place, publisher, year, edition, pages
Institute of Physics Publishing (IOPP), 2025
Keywords
XPS mapping, gas detection, fluorographene, ammonia reactivity, thermal stability
National Category
Materials Chemistry Condensed Matter Physics Atom and Molecular Physics and Optics
Identifiers
urn:nbn:se:uu:diva-546832 (URN)10.1088/1361-6528/ad9ab0 (DOI)001380310500001 ()39637436 (PubMedID)
Available from: 2025-01-13 Created: 2025-01-13 Last updated: 2025-01-13Bibliographically approved
Li, Z., Liu, J., Zheng, X., Sun, Y., Han, N., Wang, L., . . . Li, H. (2025). Energy Dispersion Relationship and Hofstadter Butterfly of Triangle and Rectangular Moiré Patterns in Tight Binding States. PHYSICS, 7(3), Article ID 34.
Open this publication in new window or tab >>Energy Dispersion Relationship and Hofstadter Butterfly of Triangle and Rectangular Moiré Patterns in Tight Binding States
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2025 (English)In: PHYSICS, ISSN 2624-8174, Vol. 7, no 3, article id 34Article in journal (Refereed) Published
Abstract [en]

Herein, the energy dispersion relationship and the density of states of triangular and rectangular moiré patterns are investigated using a tight binding model. Their characteristics of Hofstadter butterflies under different magnetic fields are also examined. The results indicate that, by analyzing different moiré superlattices, Hofstadter butterflies arising from different moiré pattern structures are obtained, exhibiting considerable fractal characteristics and self-similarities. Moreover, it is also observed that under an alternating magnetic field, the redistribution of electronic states leads to a significant change in the density of states curve, and the Van Hove peak changes with the increase in magnetic field intensity. This study enriches the understanding of the electronic behavior of moiré systems, but it also provides multiple potential application directions for future technological development.

Place, publisher, year, edition, pages
MDPI, 2025
Keywords
Hofstadter butterfly, moir & eacute, wavelength, energy dispersion relationship of triangular/rectangular moir & eacute, pattern, density of states in moir & eacute, superlattices
National Category
Other Physics Topics
Identifiers
urn:nbn:se:uu:diva-578156 (URN)10.3390/physics7030034 (DOI)001579835500001 ()2-s2.0-105017379079 (Scopus ID)
Available from: 2026-02-02 Created: 2026-02-02 Last updated: 2026-02-02Bibliographically approved
Zheng, X., Han, L., Fatima, S., Khan, S., Sun, Y., Li, Z., . . . Song, A. (2025). Large-Scale and Ultraclean Dry Transfer of Two-Dimensional Materials via Liquid Nitrogen-Assisted Cryogenic Exfoliation. Nano Letters, 25(25), 9967-9975
Open this publication in new window or tab >>Large-Scale and Ultraclean Dry Transfer of Two-Dimensional Materials via Liquid Nitrogen-Assisted Cryogenic Exfoliation
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2025 (English)In: Nano Letters, ISSN 1530-6984, E-ISSN 1530-6992, Vol. 25, no 25, p. 9967-9975Article in journal (Refereed) Published
Abstract [en]

Transition metal dichalcogenides (TMDCs) hold significant promise in constructing next-generation high-performance electronic devices, potentially extending Moore's law and enabling the realization of three-dimensional integrated circuit architectures. However, realizing this potential depends critically on developing a reliable method to transfer TMDCs from a growth substrate to desirable surfaces. Here, we report a dry-transfer strategy of liquid nitrogen-assisted cryogenic exfoliation to achieve large-scale and superclean transfer of TMDCs. Benefited from the synergistic effect of liquid nitrogen-induced exfoliation and protection of hafnium oxide, the transferred TMDCs are free from polymer residues and show excellent electrical property, and taking n-type single-crystal molybdenum disulfide as a demonstration, the transferred TMDC exhibits high carrier mobility up to 38.4 cm2 V-1 s-1. Moreover, this transfer method shows versatile capabilities in transferring monolayer and multilayer TMDCs and constructing bi- and trilayer heterostructures. Therefore, our proposed transfer methodology promises the integration of TMDCs into future, ultimately scaled-down, electronic device technologies.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2025
Keywords
dry transfer, chemical vapor deposition, transitionmetal dichalcogenide, liquid nitrogen, hafnium oxide, electronic devices
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-569635 (URN)10.1021/acs.nanolett.5c01548 (DOI)001508936000001 ()40497698 (PubMedID)2-s2.0-105007781172 (Scopus ID)
Available from: 2025-10-27 Created: 2025-10-27 Last updated: 2025-11-03Bibliographically approved
Sun, Y., Wang, M., Zheng, X., Li, Z., Han, N., Li, M., . . . Song, A. (2025). Superior self-powered infrared photodetector via semiconducting graphene-nanoribbons-based vertical heterojunctions. Applied Physics Reviews, 12(2), Article ID 021404.
Open this publication in new window or tab >>Superior self-powered infrared photodetector via semiconducting graphene-nanoribbons-based vertical heterojunctions
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2025 (English)In: Applied Physics Reviews, E-ISSN 1931-9401, Vol. 12, no 2, article id 021404Article in journal (Refereed) Published
Abstract [en]

Self-powered photodetectors, operating without an external power source, have garnered extensive interest for infrared (IR) detection owing to their vast potential in low-power consumption sensor systems. Here, a short-wavelength infrared (SWIR) heterojunction photodetector utilizing semiconducting graphene nanoribbons has been achieved and demonstrated record-high performance. In the self-powered mode, the heterojunction photodetector presents a responsivity of 73.5 A/W and a detectivity of 7.5 × 1014 Jones, surpassing previously reported self-powered IR photodetectors by several orders of magnitude. The superior performance is primarily due to the enhancement of the electric field caused by the photogating effect at the heterointerface. The device also displays unparalleled performance at −5 V bias voltage, achieving a responsivity of 843 A/W, a detectivity of 1015 Jones, and an external quantum efficiency of 105%, all of which are record-breaking values for SWIR photodetectors to date. Therefore, our approach provides new insight and demonstrates great potential for future high-performance low-power consumption IR detection technology.

Place, publisher, year, edition, pages
American Institute of Physics (AIP), 2025
National Category
Other Electrical Engineering, Electronic Engineering, Information Engineering Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-555025 (URN)10.1063/5.0251103 (DOI)001461241300002 ()2-s2.0-105002580078 (Scopus ID)
Available from: 2025-04-22 Created: 2025-04-22 Last updated: 2025-04-22Bibliographically approved
Zheng, X., Liu, J., Liu, B., Liu, W., Han, L., Wang, L., . . . Leifer, K. (2025). Superior thermal conductivity graphene films achieved by laser-irradiation-treatment. Carbon, 245, Article ID 120838.
Open this publication in new window or tab >>Superior thermal conductivity graphene films achieved by laser-irradiation-treatment
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2025 (English)In: Carbon, ISSN 0008-6223, E-ISSN 1873-3891, Vol. 245, article id 120838Article in journal (Refereed) Published
Abstract [en]

Graphene films (GFs) exhibit exceptional thermal conductivity, making them highly promising for thermal management applications by efficiently dissipating heat and ensuring the stable operation of electronic devices. However, their widespread adoption is hindered by complex preparation processes, particularly due to the ultrahigh temperature annealing treatments. To address this challenge, this work presents an energy-saving and simple-to-operate preparation strategy of GFs. The fabrication process involves the synchronous reduction and assembly of graphene oxide (GO) on metal substrates, followed by a two-step treatment consisting of 1000°C annealing treatment and laser-irradiation treatment to remove the oxygen-containing functional groups and repair the structural defects in the film. By substituting traditional ultra-high temperature treatment with laser irradiation, this approach significantly reduces the energy consumption and fabrication time, and the resulting GFs, after mechanical pressing, achieve an in-plane thermal conductivity of 1801.07 Wm-1K-1, surpassing that of conventional metal such as copper and aluminum. Therefore, our approach provides a superior thermal management solution for next-generation high-power electronics.

Place, publisher, year, edition, pages
Elsevier, 2025
Keywords
Thermal conductivity, Graphene film, Laser irradiation, Graphene oxide, Electronic device
National Category
Condensed Matter Physics Materials Chemistry Manufacturing, Surface and Joining Technology
Identifiers
urn:nbn:se:uu:diva-569202 (URN)10.1016/j.carbon.2025.120838 (DOI)001577220300002 ()
Available from: 2025-10-10 Created: 2025-10-10 Last updated: 2025-10-10Bibliographically approved
Wang, M., Zhang, Q., Jiang, Y.-c., Hussain, S., Liu, G., Wan, N., . . . Leifer, K. (2024). First-principles study of Stone-Wales defects in monolayer and Bernal-stacked hexagonal boron nitride. Journal of Physics D: Applied Physics, 57(37), Article ID 375105.
Open this publication in new window or tab >>First-principles study of Stone-Wales defects in monolayer and Bernal-stacked hexagonal boron nitride
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2024 (English)In: Journal of Physics D: Applied Physics, ISSN 0022-3727, E-ISSN 1361-6463, Vol. 57, no 37, article id 375105Article in journal (Refereed) Published
Abstract [en]

Recently, Stone-Wales (SW) defects gradually attracted people's research interest because of their unique properties. The theoretical research indicated that the SW defect in hexagonal boron nitride (h-BN) can lead to new defect levels in bandgap, making h-BN apply in ultraviolet emitters. However, the SW defect is always observed in graphene and rarely observed in h-BN in the experiments. Here, we confirmed the SW defects are not easily formed in h-BN under thermodynamic conditions by first-principles calculations. Specifically, the monolayer h-BN with SW defect (h-BN-SW) has the weak bond strength, dynamic stability and high-temperature thermal stability, facilitating the healing of SW defects under high-temperature conditions and the role of hydrogen. Additionally, we found the SW defect in AB stacked h-BN (AB-h-BN) have good mechanical stability, dynamic stability and thermodynamic stability than h-BN-SW, especially for AB-h-BN-2SW (2SW defects formed in upper and lower layer of AB-h-BN, respectively), which can meet the requirements for its application in electronic devices. Even under thermodynamic conditions, the formation of SW defects is extremely challenging. Electron beam irradiation technology provides a window for the generation of SW defects in h-BN. This offers opportunities for the introduction and control of SW defects, while also creating potential for their application in electronic devices. Moreover, we found that the absorption peak broadens, and a new absorption peak appears with the generation of SW defects, which is mainly induced by the decrease of bandgap and the generation of defect levels. Our research can provide theoretical guidance at atomic scale for designing and applying h-BN with SW defect in the experiments.

Place, publisher, year, edition, pages
Institute of Physics Publishing (IOPP), 2024
Keywords
Stone-Wales defect, Bernal-stacking, hexagonal boron nitride, healing, first-principles calculations
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-534769 (URN)10.1088/1361-6463/ad5732 (DOI)001251412100001 ()
Available from: 2024-07-09 Created: 2024-07-09 Last updated: 2024-07-09Bibliographically approved
Fu, L., Wu, J., Sathyanath, S. K., Wang, B., Leifer, K., Engqvist, H., . . . Xia, W. (2023). Far from equilibrium ultrafast high-temperature sintering of ZrO2-SiO2 nanocrystalline glass-ceramics. Journal of The American Ceramic Society, 106(7), 4005-4012
Open this publication in new window or tab >>Far from equilibrium ultrafast high-temperature sintering of ZrO2-SiO2 nanocrystalline glass-ceramics
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2023 (English)In: Journal of The American Ceramic Society, ISSN 0002-7820, E-ISSN 1551-2916, Vol. 106, no 7, p. 4005-4012Article in journal (Refereed) Published
Abstract [en]

Ultrafast high-temperature sintering (UHS) is a novel sintering technique with ultrashort firing cycles (e.g., a few tens of seconds). The feasibility of UHS has been validated on several ceramics and metals; however, its potential in consolidating glass-ceramics has not yet been demonstrated. In this work, an optimized carbon-free UHS was utilized to prepare ZrO2-SiO2 nanocrystalline glass-ceramics (NCGCs). The phase composition, grain size, densification behavior, and microstructures of NCGCs prepared by UHS were investigated and compared with those of samples sintered by pressureless sintering. Results showed that NCGCs with a high relative density (similar to 95%) can be obtained within similar to 50 s discharge time by UHS. The UHS processing not only hindered the formation of ZrSiO4 and cristobalite but also enhanced the stabilization of t-ZrO2. Meanwhile, owing to the ultrashort firing cycles, the UHS technology allowed the NCGCs to be consolidated in a far from equilibrium state. The NCGCs showed a microstructure of spherical monocrystalline ZrO2 nanocrystallites embedded in an amorphous SiO2 matrix.

Place, publisher, year, edition, pages
John Wiley & Sons, 2023
Keywords
away-from-equilibrium, densification, glass-ceramics, ultrafast high-temperature sintering, ZrO2-SiO2
National Category
Ceramics and Powder Metallurgical Materials
Identifiers
urn:nbn:se:uu:diva-512492 (URN)10.1111/jace.19055 (DOI)000942359500001 ()
Funder
Swedish Research Council, 2016-05259Swedish Research Council, 2021-00171Swedish Research Council, 2020-04341Carl Tryggers foundation , CTS 21:1704
Available from: 2023-09-26 Created: 2023-09-26 Last updated: 2025-05-20Bibliographically approved
Chen, Z., Xiaoxiao, Z., Jie, C., Jiangwei, L., Duan, T., Baoqing, Z., . . . Leifer, K. (2023). Making monolayer graphene photoluminescent by electron-beam-activated fluorination approach. Applied Surface Science, 608, Article ID 154593.
Open this publication in new window or tab >>Making monolayer graphene photoluminescent by electron-beam-activated fluorination approach
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2023 (English)In: Applied Surface Science, ISSN 0169-4332, E-ISSN 1873-5584, Vol. 608, article id 154593Article in journal (Refereed) Published
Abstract [en]

The past one and half decades have witnessed a tremendous development of graphene electronics, and the key to the success of graphene is its exceptional properties. The lacking of an inherent bandgap endows graphene with excellent electrical properties but considerably limits its applications in light-emitting and high-performance graphene-based devices. Herein, an approach for the direct writing of semiconducting and photoluminescent fluorinated graphene (C4F) patterns on monolayer graphene by an optimized electron-beam-activated fluorination technique is reported. A series of characterization approaches, such as atomic force microscopy, X-ray photoelectron spectroscopy and Raman spectroscopy were used to demonstrate the successful preparation of C4F for maskless lithography. Specially, a sharp and strong photoluminescence located at the purple light range of ∼380 nm was observed in C4F, demonstrating a desirable semiconducting nature, and the bandgap was further confirmed by follow-up electrical measurements, where the C4F filed-effect transistor exhibited a p-type semiconductor behavior and significantly enhanced on/off ratio. Therefore, this work provides a novel technique for the fabrication of graphene devices for promising electronic and optoelectronic applications, but also opens a route towards the tailoring and engineering of electronic properties of graphene.

Place, publisher, year, edition, pages
Elsevier, 2023
Keywords
Bandgap, Fluorinated grapheme, Monolayer grapheme, Photoluminescence, Filed-effect transistor
National Category
Nano Technology
Identifiers
urn:nbn:se:uu:diva-484097 (URN)10.1016/j.apsusc.2022.154593 (DOI)000875270800005 ()
Funder
Olle Engkvists stiftelse, 211-0068Swedish Research Council Formas, 2019-01538
Available from: 2022-09-07 Created: 2022-09-07 Last updated: 2024-06-10Bibliographically approved
Fu, L., Wang, B., Kumar, S., Chang, J., Yu, J., Leifer, K., . . . Xia, W. (2023). Microstructure of rapidly-quenched ZrO2-SiO2 glass-ceramics fabricated by container-less aerodynamic levitation technology. Journal of The American Ceramic Society, 106(4), 2635-2651
Open this publication in new window or tab >>Microstructure of rapidly-quenched ZrO2-SiO2 glass-ceramics fabricated by container-less aerodynamic levitation technology
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2023 (English)In: Journal of The American Ceramic Society, ISSN 0002-7820, E-ISSN 1551-2916, Vol. 106, no 4, p. 2635-2651Article in journal (Refereed) Published
Abstract [en]

In this work, an aerodynamic levitation technology (ALT) was utilized to prepare ZrO2-SiO2 glass-ceramics with two different ZrO2 contents, that is, 35 mol% and 50 mol%. The glass-ceramics were partially melted at similar to 2000 degrees C or fully melted at similar to 3000 degrees C by ALT, followed by rapid quenching to obtain spherical glass-ceramic beads. The phase compositions and microstructures of the glass-ceramics were characterized. Crystallization of ZrO2 occurred during the solidification process and ZrO2 content, processing temperature, and the addition of yttrium (3 mol%) affected the crystalline phase of ZrO2. No ZrSiO4 or crystalline SiO2 were formed during the solidification process and the glass-ceramics were away from thermodynamic equilibrium due to rapid quenching. The glass-ceramics showed a microstructure of irregular-shaped ZrO2 micro-aggregates embedded in an amorphous SiO2 matrix, with lamellar twins and lattice defects formed within ZrO2 crystals. For samples prepared at similar to 3000 degrees C, a liquid-liquid phase separation occurred in the melt, which eventually resulted in the formation of large and irregular-shaped ZrO2 aggregates. In comparison, for samples prepared at similar to 2000 degrees C, pre-existed ZrO2 crystals formed during heating acted as nucleation sites during the cooling process, followed by grain growth to form large ZrO2 aggregates. Solidification and microstructure formation mechanisms were proposed to elucidate the solidification process during rapid cooling and the microstructure of the glass-ceramics obtained.

Place, publisher, year, edition, pages
John Wiley & SonsWiley, 2023
Keywords
aerodynamic levitation, crystallization, glass-ceramics, TEM, ZrO2-SiO2
National Category
Ceramics and Powder Metallurgical Materials
Identifiers
urn:nbn:se:uu:diva-497296 (URN)10.1111/jace.18925 (DOI)000898977500001 ()
Available from: 2023-03-02 Created: 2023-03-02 Last updated: 2025-05-20Bibliographically approved
Projects
Electronic structure engineering resolved with atomic resolution and down to single atom level by transmission electron microscopy [2012-03679_VR]; Uppsala UniversityFunctionalisation and spectroscopic TEM analysis of structured 2D materials [2016-05259_VR]; Uppsala UniversityQuantitative TEM analysis of magnetic interfaces and nano-structures using down to subatomic EMCD signals [2025-05829_VR]; Uppsala University
Organisations
Identifiers
ORCID iD: ORCID iD iconorcid.org/0000-0002-8360-1877

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