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Autonomous Energy Materials Discovery Publications
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Autonomous Energy Materials Discovery Publications
Displaying 21 - 30 of 31
2020
I. Tezsevin, M. C. M. van de Sanden, S. Er ,
Surface charging activated mechanism change: A computational study of O, CO, and CO2 interactions on Ag electrodes
, Journal of Energy Chemistry
, 50 (2020) 307-313
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,
DOI
M. C. Sorkun, O. D. Incel, C. Paoli ,
Time series forecasting on multi-variate solar radiation data using deep learning (LSTM)
, Turkish Journal of Electrical Engineering & Computer Sciences
, 28 (2020) 211-223
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,
DOI
A. Caglar, D. Duzenli, I. Onal, I. Tezsevin, D. Sahin, H. Kivrak ,
A comparative experimental and density functional study of glucose adsorption and electrooxidation on the Au-graphene and Pt-graphene electrodes
, International Journal of Hydrogen Energy
, 45 (2020) 490-500
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DOI
Q. Zhang, A. Khetan, S. Er ,
Comparison of computational chemistry methods for the discovery of quinone-based electroactive compounds for energy storage
, Scientific Reports
, 10 (2020) 22149
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,
DOI
M. C. Sorkun, S. Astruc, J. M. V. A. Koelman, S. Er ,
An artificial intelligence-aided virtual screening recipe for two-dimensional materials discovery
, NPJ Computational Materials
, 6 (2020) 106
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,
DOI
2019
Z. Liu, S. Liu, S. Er ,
Hydrogen storage properties of Li-decorated B2S monolayers: A DFT study
, International Journal of Hydrogen Energy
, 44 (2019) 16803-16810
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,
2019_69491.pdf
,
DOI
M. C. Sorkun, A. Khetan, S. Er ,
AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds
, Nature Scientific Data
, 6 (2019) 143
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DOI
2018
G. Fuchsel, K. Cao, S. Er, E. W. F. Smeets, A. W. Kleyn, L. B. F. Juurlink, G. J. Kroes ,
Anomalous Dependence of the Reactivity on the Presence of Steps: Dissociation of D-2 on Cu(211)
, Journal of Physical Chemistry Letters
, 9 (2018) 170-175
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,
DOI
Y. Bu, S. Er, J. W. H. Niemantsverdriet, H. O. A. Fredriksson ,
Preferential oxidation of CO in H2 on Cu and Cu/CeOx catalysts studied by in situ UV–Vis and mass spectrometry and DFT
, Journal of Catalysis
, 357 (2018) 176-187
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,
DOI
Z. Liu, L. Xiong, J. Li, S. Liu, S. Er ,
Effects of alloying elements (Al, Mn, Ru) on desorption plateau pressures of vanadium hydrides: An experimental and first-principles study
, International Journal of Hydrogen Energy
, 43 (2018) 21441-21450
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,
2018_68693.pdf
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DOI
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