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Autonomous Energy Materials Discovery Publications

Autonomous Energy Materials Discovery Publications

Displaying 31 - 40 of 87

2021

Z. Liu, T. Hussain, A. Karton, S. Er , Empowering hydrogen storage properties of haeckelite monolayers via metal atom functionalization , Applied Surface Science , 556 (2021) 149709 ,Open Access , DOI
I. Tezsevin, M. C. M. van de Sanden, S. Er , High-Throughput Computational Screening of Cubic Perovskites for Solid Oxide Fuel Cell Cathodes , Journal of Physical Chemistry Letters , 12 (2021) 4160-4165 ,Open Access , 2021_4750.pdf , DOI
Q. Zhang , A computational approach for high-throughput virtual screening of organic electroactive compounds for aqueous redox flow batteries , PhD (2021/11/01)
X. Zhou, A. Khetan, S. Er , Evaluation of Computational Chemistry Methods for Predicting Redox Potentials of Quinone-Based Cathodes for Li-Ion Batteries , Batteries , 7 (2021) 71 ,Open Access , DOI
Q. Zhang, A. Khetan, S. Er , A Quantitative Evaluation of Computational Methods to Accelerate the Study of Alloxazine-Derived Electroactive Compounds for Energy Storage , Scientific Reports , 11 (2021) 4089 ,Open Access , DOI
M. C. Sorkun, J. M. V. A. Koelman, S. Er , Pushing the limits of solubility prediction via quality-oriented data selection , iScience , 24 (2021) 101961 ,Open Access , DOI
C. W. Anderson, R. Armiento, E. Blokhin, G. J. Conduit, S. Dwaraknath, M. L. Evans, A. Fekete, A. Gopakumar, S. Grazulis, S. Er , et al. , OPTIMADE, an API for exchanging materials data , Nature Scientific Data , 8 (2021) 217 ,Open Access , DOI

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 ,Open Access , DOI
T. T. Belete, M. C. M. van de Sanden, M. A. Gleeson , Performance of transition metal-doped CaCO3 during cyclic CO2 capture-and-release in low-pressure H2O vapour and H2O plasma , Sustainable Materials and Technologies , 25 (2020) e00163 ,Open Access , 2020_1637.pdf , 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, DOI