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Autonomous Energy Materials Discovery Publications

Autonomous Energy Materials Discovery Publications

Displaying 21 - 30 of 93

2024

Y. Wang, M. C. Sorkun, G. Brocks, S. Er , ML-Aided Computational Screening of 2D Materials for Photocatalytic Water Splitting , Journal of Physical Chemistry Letters , 15 (2024) 4983-4991 ,Open Access , 2024_6251.pdf , DOI
M. C. Sorkun, E. N. Ghassemi, C. Yatbaz, J. M. V. A. Koelman, S. Er , RedPred, a machine learning model for the prediction of redox reaction energies of the aqueous organic electrolytes , Artificial Intelligence Chemistry , 2 (2024) 100064 ,Open Access , DOI
Y. Wang, G. Brocks, S. Er , Data-Driven Discovery of Intrinsic Direct-Gap 2D Materials as Potential Photocatalysts for Efficient Water Splitting , ACS Catalysis , 14 (2024) 1336-1350, DOI
X. L. Guo, P. Apostol, X. Zhou, J. D. Wang, X. D. Lin, D. Rambabu, M. Y. Du, S. Er, A. Vlad , Towards the 4 V-class n-type organic lithium-ion positive electrode materials: the case of conjugated triflimides and cyanamides , Energy and Environmental Science , 17 (2024) 173-182 ,Open Access , DOI

2023

Y. T. Luo, H.L. Wu, X. Zhou, J. H. Wang, S. Er, Y. Li, P.L.W. van Welzen, R. A.J.F. Oerlemans, L. K.E.A. Abdelmohsen, J. X. Shao , et al. , Polymer Vesicles with Integrated Photothermal Responsiveness , Journal of the American Chemical Society , 145 (2023) 20073-20080 ,Open Access , DOI
X. Zhou, A. Khetan, J. Zheng, M. Huijben, R. A. J. Janssen, S. Er , Discovery of lead quinone cathode materials for Li-ion batteries , Digital Discovery , 2 (2023) 1016-1025 ,Open Access , DOI
X. Zhou, R. A. J. Janssen, S. Er , Virtual screening of organic quinones as cathode materials for sodium-ion batteries , Energy Advances , 2 (2023) 820-828 ,Open Access , DOI
C. J. Weststrate, D. Sharma, M. A. Gleeson, J. W. Niemantsverdriet , Water and Hydroxyl Reactivity on Flat and Stepped Cobalt Surfaces , Journal of Physical Chemistry C , 127 (2023) 2974–2980, DOI

2022

D. Garcia Rodriguez, M. A. Gleeson, J. V. Lauritsen, Z. S. Li, X. Yu, J. W. Niemantsverdriet, C. J. Weststrate , Iron carbide formation on thin iron films grown on Cu(100): FCC iron stabilized by a stable surface carbide , Applied Surface Science , 585 (2022) 152684 ,Open Access , DOI
M. C. Sorkun , Artificial Intelligence-driven Discovery of Materials for Energy Applications , PhD (2022/06/01)