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Fernandes, Daniel L. A.
Alternative names
Publications (10 of 18) Show all publications
Miles, J., Fernandes, D., Young, A., Bond, C. M., Crane, S. W., Ghafur, O., . . . Greenwood, J. B. (2017). A new technique for probing chirality via photoelectron circular dichroism. Analytica Chimica Acta, 984, 134-139
Open this publication in new window or tab >>A new technique for probing chirality via photoelectron circular dichroism
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2017 (English)In: Analytica Chimica Acta, ISSN 0003-2670, E-ISSN 1873-4324, Vol. 984, p. 134-139Article in journal (Refereed) Published
Abstract [en]

We present a proof-of-principle approach for discriminating chiral enantiomers based on the phenomenon of multiphoton photoelectron circular dichroism. A novel stereo detection setup was used to measure the number of photoelectrons emitted from chiral molecules in directions parallel or antiparallel to the propagation of the ionising femtosecond laser pulses. In this study, we show how these asymmetries in the ketones camphor and fenchone depend upon the ellipticity of the laser pulses and the enantiomeric excess of the sample. By using a high repetition rate femtosecond laser, enantiomer excesses with uncertainties at the few-percent level could be measured in close to real-time. As the instrument is compact, and commercial turnkey femtosecond lasers are readily available, the development of a stand-alone chiral analysis instrument for a range of applications is now possible.

Place, publisher, year, edition, pages
Amsterdam: ELSEVIER SCIENCE BV, 2017
Keywords
Chirality, Enantiomer excess, Photoelectron spectroscopy, Time-of-flight mass spectrometry, Femtosecond laser ionization
National Category
Analytical Chemistry
Identifiers
urn:nbn:se:uu:diva-330538 (URN)10.1016/j.aca.2017.06.051 (DOI)000408360600011 ()
Available from: 2017-10-04 Created: 2017-10-04 Last updated: 2017-10-04
Pati, P. B., Damas, G., Tian, L., Fernandes, D. L. A., Zhang, L., Bayrak Pehlivan, I., . . . Tian, H. (2017). An experimental and theoretical study of an efficient polymer nano-photocatalyst for hydrogen evolution. Energy & Environmental Science, 10(6), 1372-1376
Open this publication in new window or tab >>An experimental and theoretical study of an efficient polymer nano-photocatalyst for hydrogen evolution
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2017 (English)In: Energy & Environmental Science, ISSN 1754-5692, E-ISSN 1754-5706, Vol. 10, no 6, p. 1372-1376Article in journal (Refereed) Published
Abstract [en]

In this work, we report a highly efficient organic polymer nano-photocatalyst for light driven proton reduction. The system renders an initial rate of hydrogen evolution up to 50 +/- 0.5 mmol g(-1) h(-1), which is the fastest rate among all other reported organic photocatalysts. We also experimentally and theoretically prove that the nitrogen centre of the benzothiadiazole unit plays a crucial role in the photocatalysis and that the Pdots structure holds a close to ideal geometry to enhance the photocatalysis.

Keywords
CATALYSTS; H-2; SYSTEM; ENVIRONMENTAL SCIENCES; CELLS; CONJUGATED POLYMERS; ENERGY & FUELS; ARTIFICIAL PHOTOSYNTHESIS; WATER; ENGINEERING, CHEMICAL; GENERATION; CHEMISTRY, MULTIDISCIPLINARY; VISIBLE-LIGHT
National Category
Polymer Chemistry Engineering and Technology
Identifiers
urn:nbn:se:uu:diva-332949 (URN)DOI: 10.1039/c7ee00751e (DOI)
Funder
Knut and Alice Wallenberg Foundation
Available from: 2017-11-02 Created: 2017-11-02 Last updated: 2017-11-13
Sá, J., Fernandes, D. L. A., Pavliuk, M. V. & Szlachetko, J. (2017). Controlling dark catalysis with quasi half-cycle terahertz pulses. Catalysis Science & Technology, 7(5), 1050-1054
Open this publication in new window or tab >>Controlling dark catalysis with quasi half-cycle terahertz pulses
2017 (English)In: Catalysis Science & Technology, ISSN 2044-4753, E-ISSN 2044-4761, Vol. 7, no 5, p. 1050-1054Article in journal (Refereed) Published
Abstract [en]

This study reports the changes in the platinum electronic structure induced by a strong electric field originated from quasi half-cycle THz pulses, which forces the C-O molecule to dissociate. The changes could be rationalized via a simple analysis of the local density-of-states and easily characterised via high resolution X-ray absorption spectroscopy (HR-XAS). Thus, conferring half-cycle THz pulses the capability of triggering dark catalytic processes required to follow real time catalytic bond rupture or formation, i.e., time-resolved measurements using THz as the pump and HR-XAS as the probe.

Place, publisher, year, edition, pages
ROYAL SOC CHEMISTRY, 2017
National Category
Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-320254 (URN)10.1039/c6cy02651f (DOI)000396137800004 ()
Available from: 2017-04-19 Created: 2017-04-19 Last updated: 2017-04-19Bibliographically approved
Czapla-Masztafiak, J., Nogueira, J. J., Lipiec, E., Kwiatek, W. M., Wood, B. R., Deacon, G. B., . . . Sá, J. (2017). Direct Determination of Metal Complexes' Interaction with DNA by Atomic Telemetry and Multiscale Molecular Dynamics. Journal of Physical Chemistry Letters, 8(4), 805-811
Open this publication in new window or tab >>Direct Determination of Metal Complexes' Interaction with DNA by Atomic Telemetry and Multiscale Molecular Dynamics
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2017 (English)In: Journal of Physical Chemistry Letters, ISSN 1948-7185, E-ISSN 1948-7185, Vol. 8, no 4, p. 805-811Article in journal (Refereed) Published
Abstract [en]

The lack of molecular mechanistic understanding of the interaction between metal complexes and biomolecules hampers their potential medical use. Herein we present a robust procedure combining resonant X-ray emission spectroscopy and multiscale molecular dynamics simulations, which allows for straightforward elucidation of the precise interaction mechanism at the atomic level. The report unveils an unforeseen hydrolysis process and DNA binding of [Pt{N(p-HC6F4)CH2}(2)py(2)] (Pt103), which showed potential cytotoxic activity in the past. Pt103 preferentially coordinates to adjacent adenine sites, instead of guanine sites as in cisplatin, because of its hydrogen bond ability. Comparison with previous research on cisplatin suggests that selective binding to guanine or adenine may be achieved by controlling the acidity of the compound.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC, 2017
National Category
Physical Chemistry Medicinal Chemistry
Identifiers
urn:nbn:se:uu:diva-319563 (URN)10.1021/acs.jpclett.7b00070 (DOI)000394484100016 ()28151686 (PubMedID)
Funder
Australian Research Council, FT120100926
Available from: 2017-04-06 Created: 2017-04-06 Last updated: 2018-01-13Bibliographically approved
Pavliuk, M. V., Cieślak,, A. M., Abdellah, M., Budinská, A., Pullen, S., Sokolowski, K., . . . Sá, J. (2017). Hydrogen evolution with nanoengineered ZnO interfaces decorated using a beetroot extract and a hydrogenase mimic. Sustainable Energy & Fuels, 1, 69-73
Open this publication in new window or tab >>Hydrogen evolution with nanoengineered ZnO interfaces decorated using a beetroot extract and a hydrogenase mimic
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2017 (English)In: Sustainable Energy & Fuels, ISSN 2398-4902, Vol. 1, p. 69-73Article in journal (Refereed) Published
Abstract [en]

Herein, we report a nano-hybrid photo-system based on abundant elements for H2 production with visible light. The photo-system's proficiency relates to the novel ZnO nanocrystals employed. The ZnO carboxylate oligoethylene glycol shell enhances charge separation and accumulates reactive electrons for the photocatalytic process. 

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2017
Keywords
H2 evolution
National Category
Physical Chemistry Engineering and Technology
Research subject
Chemistry with specialization in Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-335979 (URN)10.1039/c6se00066e (DOI)000422769100006 ()
Available from: 2017-12-11 Created: 2017-12-11 Last updated: 2018-04-03Bibliographically approved
Pavliuk, M. V., Fernandes, A. B., Abdellah, M., Fernandes, D. L. A., Machado, C. ., Rocha, I., . . . Sá, J. (2017). Nano-hybrid plasmonic photocatalyst for hydrogen production at 20% efficiency. Scientific Reports, 7, Article ID 8670.
Open this publication in new window or tab >>Nano-hybrid plasmonic photocatalyst for hydrogen production at 20% efficiency
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2017 (English)In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 7, article id 8670Article in journal (Refereed) Published
Abstract [en]

The efficient conversion of light energy into chemical energy is key for sustainable human development. Several photocatalytic systems based on photovoltaic electrolysis have been used to produce hydrogen via water reduction. However, in such devices, light harvesting and proton reduction are carried separately, showing quantum efficiency of about 10–12%. Here, we report a nano-hybrid photocatalytic assembly that enables concomitant reductive hydrogen production and pollutant oxidation with solar-to-fuel efficiencies up to 20%. The modular architecture of this plasmonic material allows the fine-tuning of its photocatalytic properties by simple manipulation of a reduced number of basic components.

National Category
Nano Technology
Research subject
Engineering Science with specialization in Nanotechnology and Functional Materials; Engineering Science with specialization in Nanotechnology and Functional Materials
Identifiers
urn:nbn:se:uu:diva-328630 (URN)10.1038/s41598-017-09261-7 (DOI)000407864400051 ()
Funder
The Swedish Foundation for International Cooperation in Research and Higher Education (STINT), IB2015-6474
Available from: 2017-08-28 Created: 2017-08-28 Last updated: 2017-12-28Bibliographically approved
Fernandes, D. L. A., Budinska, A., Pavliuk, M. V. & Sá, J. (2017). Novel photo-reactor for fast screening of photo-catalytic systems. Journal of Photochemistry and Photobiology A: Chemistry, 335, 36-39
Open this publication in new window or tab >>Novel photo-reactor for fast screening of photo-catalytic systems
2017 (English)In: Journal of Photochemistry and Photobiology A: Chemistry, ISSN 1010-6030, E-ISSN 1873-2666, Vol. 335, p. 36-39Article in journal (Refereed) Published
Abstract [en]

Photo-catalysis is an emerging technology for clean energy production, organic synthesis and environmental protection, etc. While there is a hydrogen of systems and schemes to attain these objectives, there is a paucity of photo-reactors capable of determine catalytic abilities in real time with reduce amounts of samples, i.e., fast-screening of catalyst and reaction parameters. Herein, we report a novel photo-reactor for simultaneous online monitoring of gaseous products with quadrupole mass spectrometry and photo-physics with fibre optic UV/Vis with millisecond time resolution on 4 mL cuvettes.

Keywords
Photo-reactor, Fast analysis, Fast-screening, Combined spectroscopy
National Category
Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-317584 (URN)10.1016/j.jphotochem.2016.11.015 (DOI)000393529000005 ()
Funder
The Swedish Foundation for International Cooperation in Research and Higher Education (STINT), IB2015-6474Swedish Research Council, 2015-03764
Available from: 2017-03-22 Created: 2017-03-22 Last updated: 2017-11-29Bibliographically approved
Garlisi, C., Szlachetko, J., Aubry, C., Fernandes, D. L. A., Hattori, Y., Paun, C., . . . Palmisano, G. (2017). N-TiO2/Cu-TiO2 double-layer films: Impact of stacking order on photocatalytic properties. Journal of Catalysis, 353, 116-122
Open this publication in new window or tab >>N-TiO2/Cu-TiO2 double-layer films: Impact of stacking order on photocatalytic properties
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2017 (English)In: Journal of Catalysis, ISSN 0021-9517, E-ISSN 1090-2694, Vol. 353, p. 116-122Article in journal (Refereed) Published
Abstract [en]

In this work, we report for the first time a unique configuration of N-doped and Cu-doped TiO2 bilayer. The activity of TiO2 was improved by combining Cu- and N-doping in a layered thin-film structure. The impact of the stacking order was studied, pointing out how the best arrangement is by far the one with Cu-TiO2 as the top layer. The results reveal a unique and simple way to enhance the photocatalytic response of TiO2 in the visible domain.

Place, publisher, year, edition, pages
ACADEMIC PRESS INC ELSEVIER SCIENCE, 2017
Keywords
N-TiO2/Cu-TiO2 films, Stacking order, Photocatalytic oxidation
National Category
Chemical Sciences
Identifiers
urn:nbn:se:uu:diva-335413 (URN)10.1016/j.jcat.2017.06.028 (DOI)000410468300014 ()
Available from: 2017-12-06 Created: 2017-12-06 Last updated: 2017-12-06Bibliographically approved
Fernandes, D. L. A., Paun, C., Pavliuk, M. V., Fernandes, A. B., Bastos, E. L. & Sá, J. (2016). Green microfluidic synthesis of monodisperse silver nanoparticles via genetic algorithm optimization. RSC Advances, 6(98), 95693-95697
Open this publication in new window or tab >>Green microfluidic synthesis of monodisperse silver nanoparticles via genetic algorithm optimization
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2016 (English)In: RSC Advances, ISSN 2046-2069, E-ISSN 2046-2069, Vol. 6, no 98, p. 95693-95697Article in journal (Refereed) Published
Abstract [en]

A scalable and green procedure for the microfluidic flow synthesis of monodisperse silver nanoparticles is reported. Beetroot extract is used both as a reducing and growth-regulating agent. A multi-objective genetic algorithm was used to automate the optimization of the reaction and reduce sample polydispersity observed in previous reports. The proposed methodology ensures high-quality nanoparticles in a rapidly manner and devoid of human skill or intuition, essential for method standardization and implementation.

National Category
Chemical Sciences
Identifiers
urn:nbn:se:uu:diva-310568 (URN)10.1039/c6ra20877k (DOI)000385633100038 ()
Funder
Swedish Research Council, 2015-03764
Available from: 2016-12-19 Created: 2016-12-16 Last updated: 2017-11-29Bibliographically approved
Pavliuk, M. V., Fernandes, D. L. A., El-Zohry, A., Abdellah, M., Nedelcu, G., Kovalenko, M. V. & Sá, J. (2016). Magnetic Manipulation of Spontaneous Emission from Inorganic CsPbBr3 Perovskites Nanocrystals. ADVANCED OPTICAL MATERIALS, 4(12), 2004-2008
Open this publication in new window or tab >>Magnetic Manipulation of Spontaneous Emission from Inorganic CsPbBr3 Perovskites Nanocrystals
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2016 (English)In: ADVANCED OPTICAL MATERIALS, ISSN 2195-1071, Vol. 4, no 12, p. 2004-2008Article in journal (Refereed) Published
Abstract [en]

Metal halide perovskites have shown great potential for both light-absorbing and light-emitting devices. It is demonstrated that the presence of a low-magnetic field decreases dramatically the photoluminescence of CsPbBr3. This is found to be due to a decrease in charge separated state lifetime. The effect is fully reversible, and can be exploited for simple and remote modulation of the output of light-emitting devices.

National Category
Physical Chemistry Materials Chemistry
Identifiers
urn:nbn:se:uu:diva-315916 (URN)10.1002/adom.201600611 (DOI)000392405100014 ()
Funder
Knut and Alice Wallenberg FoundationSwedish Research Council, 2015-03764EU, FP7, Seventh Framework Programme, 306733
Available from: 2017-02-23 Created: 2017-02-23 Last updated: 2017-02-23Bibliographically approved
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