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Giane B. Damas
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An experimental and theoretical study of an efficient polymer nano-photocatalyst for hydrogen evolution
PB Pati, G Damas, L Tian, DLA Fernandes, L Zhang, IB Pehlivan, ...
Energy & Environmental Science 10 (6), 1372-1376, 2017
2092017
A quantum chemistry study for ionic liquids applied to gas capture and separation
GB Damas, ABA Dias, LT Costa
The Journal of Physical Chemistry B 118 (30), 9046-9064, 2014
912014
On the design of donor–acceptor conjugated polymers for photocatalytic hydrogen evolution reaction: first-principles theory-based assessment
G Damas, CFN Marchiori, CM Araujo
The Journal of Physical Chemistry C 122 (47), 26876-26888, 2018
462018
On the mechanism of carbon dioxide reduction on Sn-based electrodes: insights into the role of oxide surfaces
GB Damas, CR Miranda, R Sgarbi, JM Portela, MR Camilo, FHB Lima, ...
Catalysts 9 (8), 636, 2019
272019
Tailoring the electron-rich moiety in benzothiadiazole-based polymers for an efficient photocatalytic hydrogen evolution reaction
GB Damas, CFN Marchiori, CM Araujo
The Journal of Physical Chemistry C 123 (42), 25531-25542, 2019
212019
Symmetric Small-Molecules with Acceptor–Donor–Acceptor Architecture for Efficient Visible-Light Driven Hydrogen Production: Optical and Thermodynamic Aspects
GB Damas, F von Kieseritzky, J Hellberg, CFN Marchiori, CM Araujo
The Journal of Physical Chemistry C 123 (51), 30799-30808, 2019
112019
X-ray photoelectron fingerprints of high-valence ruthenium–oxo complexes along the oxidation reaction pathway in an aqueous environment
JL Silva, I Unger, TA Matias, LR Franco, G Damas, LT Costa, KCF Toledo, ...
The journal of physical chemistry letters 10 (24), 7636-7643, 2019
92019
Understanding carbon dioxide capture on metal–organic frameworks from first-principles theory: The case of MIL-53 (X), with X= Fe3+, Al3+, and Cu2+
GB Damas, LT Costa, R Ahuja, CM Araujo
The Journal of Chemical Physics 155 (2), 2021
82021
Mercúrio: da antiguidade aos dias atuais
LT Costa, GB Damas, B Bertoldo
Revista Virtual de Química 6 (4), 1010-1020, 2014
82014
Tuning the photocatalytic properties of porphyrins for hydrogen evolution reaction: An in-silico design strategy
CFN Marchiori, GB Damas, CM Araujo
Journal of Power Sources Advances 15, 100090, 2022
72022
Understanding indium nitride thin film growth under ALD conditions by atomic scale modelling: From the bulk to the In-rich layer
GB Damas, K Rönnby, H Pedersen, L Ojamäe
Applied Surface Science 592, 153290, 2022
62022
On the mechanism of carbon dioxide reduction on Sn-based electrodes: insights into the role of oxide surfaces. Catalysts 9: 636
GB Damas, CR Miranda, R Sgarbi, JM Portela, MR Camilo, FHB Lima, ...
52019
Carbon dioxide reduction mechanism on Ru-based electrocatalysts [Ru (bpy) 2 (CO) 2] 2+: insights from first-principles theory
GB Damas, DA Ivashchenko, I Rivalta, CM Araujo
Sustainable Energy & Fuels 5 (23), 6066-6076, 2021
32021
Atomic Scale Modelling in Photoelectrocatalysis: Towards the Development of Efficient Materials for Solar Fuel Production
GB Damas
Acta Universitatis Upsaliensis, 2020
22020
Mercury: from Antiquity to Nowadays
GB Damas, B Bertoldo, LT Costa
REVISTA VIRTUAL DE QUIMICA 6 (4), 1010-1020, 2014
12014
Infrared Fingerprints of the CO2 Conversion into Methanol at Cu(s)/ZrO2(s): An Experimental and Theoretical Study
E Kalered, GB Damas, P Mäkie, PO Käll, M Odén, L Ojamäe
ChemCatChem 16 (3), e202300886, 2024
2024
Thermal decomposition of trimethylindium and indium trisguanidinate precursors for InN growth: An ab initio and kinetic modeling study
GB Damas, K Rönnby, H Pedersen, L Ojamäe
The Journal of Chemical Physics 158 (17), 2023
2023
X-ray photoelectron fingerprints of high-valent ruthenium–oxo complexes along the oxidation reaction pathway in aqueous environment
KCF Toledo, JL Silva, I Unger, TA Matias, LR Franco, G Damas, LT Costa, ...
Anais, 2023
2023
Fundamentals of the photocatalytic activity of conjugated polymers for hydrogen evolution reaction: optical and thermodynamic aspects
G Damas, C Marchiori, CM Araujo
APS March Meeting Abstracts 2019, T70. 073, 2019
2019
Carbon Dioxide Reduction Mechanism on Ru-based Electrocatalysts: Insights from First-principles Theory
G Damas, D Ivashchenko, I Rivalta, CM Araujo
2019
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