Er S - Search Results

1

High-Throughput Computational Screening of Cubic Perovskites for Solid Oxide Fuel Cell Cathodes.

Tezsevin I, van de Sanden MCM, Er S. Tezsevin I, et al. Among authors: er s. J Phys Chem Lett. 2021 May 6;12(17):4160-4165. doi: 10.1021/acs.jpclett.1c00827. Epub 2021 Apr 23. J Phys Chem Lett. 2021. PMID: 33890796

2

Anomalous Dependence of the Reactivity on the Presence of Steps: Dissociation of D₂ on Cu(211).

Füchsel G, Cao K, Er S, Smeets EWF, Kleyn AW, Juurlink LBF, Kroes GJ. Füchsel G, et al. Among authors: er s. J Phys Chem Lett. 2018 Jan 4;9(1):170-175. doi: 10.1021/acs.jpclett.7b03097. Epub 2017 Dec 22. J Phys Chem Lett. 2018. PMID: 29262681 Free PMC article.

3

ML-Aided Computational Screening of 2D Materials for Photocatalytic Water Splitting.

Wang Y, Sorkun MC, Brocks G, Er S. Wang Y, et al. Among authors: er s. J Phys Chem Lett. 2024 May 9;15(18):4983-4991. doi: 10.1021/acs.jpclett.4c00425. Epub 2024 May 1. J Phys Chem Lett. 2024. PMID: 38691841

4

A quantitative evaluation of computational methods to accelerate the study of alloxazine-derived electroactive compounds for energy storage.

Zhang Q, Khetan A, Er S. Zhang Q, et al. Among authors: er s. Sci Rep. 2021 Feb 18;11(1):4089. doi: 10.1038/s41598-021-83605-2. Sci Rep. 2021. PMID: 33603045 Free PMC article.

5

Virtual screening of organic quinones as cathode materials for sodium-ion batteries.

Zhou X, Janssen RAJ, Er S. Zhou X, et al. Among authors: er s. Energy Adv. 2023 Apr 17;2(6):820-828. doi: 10.1039/d2ya00282e. eCollection 2023 Jun 15. Energy Adv. 2023. PMID: 37323160 Free PMC article.

6

Comparison of computational chemistry methods for the discovery of quinone-based electroactive compounds for energy storage.

Zhang Q, Khetan A, Er S. Zhang Q, et al. Among authors: er s. Sci Rep. 2020 Dec 17;10(1):22149. doi: 10.1038/s41598-020-79153-w. Sci Rep. 2020. PMID: 33335155 Free PMC article.

7

RedDB, a computational database of electroactive molecules for aqueous redox flow batteries.

Sorkun E, Zhang Q, Khetan A, Sorkun MC, Er S. Sorkun E, et al. Among authors: er s. Sci Data. 2022 Nov 28;9(1):718. doi: 10.1038/s41597-022-01832-2. Sci Data. 2022. PMID: 36443329 Free PMC article.

8

Discovery of lead quinone cathode materials for Li-ion batteries.

Zhou X, Khetan A, Zheng J, Huijben M, Janssen RAJ, Er S. Zhou X, et al. Among authors: er s. Digit Discov. 2023 May 30;2(4):1016-1025. doi: 10.1039/d2dd00112h. eCollection 2023 Aug 8. Digit Discov. 2023. PMID: 38013813 Free PMC article.

9

Pushing the limits of solubility prediction via quality-oriented data selection.

Sorkun MC, Koelman JMVA, Er S. Sorkun MC, et al. Among authors: er s. iScience. 2020 Dec 17;24(1):101961. doi: 10.1016/j.isci.2020.101961. eCollection 2021 Jan 22. iScience. 2020. PMID: 33437941 Free PMC article.

10

Towards the 4 V-class n-type organic lithium-ion positive electrode materials: the case of conjugated triflimides and cyanamides.

Guo X, Apostol P, Zhou X, Wang J, Lin X, Rambabu D, Du M, Er S, Vlad A. Guo X, et al. Among authors: er s. Energy Environ Sci. 2023 Nov 20;17(1):173-182. doi: 10.1039/d3ee02897f. eCollection 2024 Jan 2. Energy Environ Sci. 2023. PMID: 38173560 Free PMC article.

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