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The last 5 uploaded publications
Energy Frontier Research Centers: Center for the Computational Design of Functional Layered Materials (CCDM) August 1, 2014 - July 31, 2018; Center for Complex Materials from First Principles (CCM) August 1, 2018 - July 31, 2021 (Final Report)
John P Perdew, Arun Bansil, Eric Borguet, Linyou Cao, Mikko Haataja, M. Iavarone, G. Karapetrov, Michael T. Klein, Adrienn Ruzsinszky, Gustavo Scuseria, David J. Srolovitz, Daniel R. Strongin, Jianwei Sun, Xifan Wu, Xiaoxing Xi, Qimin Yan, Weitao Yang, Michael J. Zdilla, Yimei Zhu (2023). Energy Frontier Research Centers: Center for the Computational Design of Functional Layered Materials (CCDM) August 1, 2014 - July 31, 2018; Center for Complex Materials from First Principles (CCM) August 1, 2018 - July 31, 2021 (Final Report). , DOI: https://doi.org/10.2172/1984383.
Report25 days agoComparing Meta-GGAs, +U Corrections, and Hybrid Functionals for Polaronic Point Defects in Layered MnO$_2$, NiO$_2$, and KCoO$_2$
Raj K. Sah, Michael J. Zdilla, Eric Borguet, John P Perdew (2024). Comparing Meta-GGAs, +U Corrections, and Hybrid Functionals for Polaronic Point Defects in Layered MnO$_2$, NiO$_2$, and KCoO$_2$. , DOI: https://doi.org/10.48550/arxiv.2404.14317.
Preprint25 days agoWater Oxidation Catalyzed by Cobalt Oxide Supported on the Mattagamite Phase of CoTe<sub>2</sub>
Ian G. McKendry, Akila C. Thenuwara, Jianwei Sun, Haowei Peng, John P Perdew, Daniel R. Strongin, Michael J. Zdilla (2016). Water Oxidation Catalyzed by Cobalt Oxide Supported on the Mattagamite Phase of CoTe<sub>2</sub>. , 6(11), DOI: https://doi.org/10.1021/acscatal.6b01878.
Article25 days agoCopper-Intercalated Birnessite as a Water Oxidation Catalyst
Akila C. Thenuwara, Samantha L. Shumlas, Nuwan H. Attanayake, Elizabeth B. Cerkez, Ian G. McKendry, Laszlo Frazer, Eric Borguet, Qing Kang, Michael J. Zdilla, Jianwei Sun, Daniel R. Strongin (2015). Copper-Intercalated Birnessite as a Water Oxidation Catalyst. , 31(46), DOI: https://doi.org/10.1021/acs.langmuir.5b02936.
Article25 days agoComparing Meta-GGAs, +U Corrections, and Hybrid Functionals for Polaronic Point Defects in Layered MnO$_2$, NiO$_2$, and KCoO$_2$
Raj K. Sah, Michael J. Zdilla, Eric Borguet, John P Perdew (2024). Comparing Meta-GGAs, +U Corrections, and Hybrid Functionals for Polaronic Point Defects in Layered MnO$_2$, NiO$_2$, and KCoO$_2$. , DOI: https://doi.org/10.48550/arxiv.2404.14317.
Preprint25 days ago