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- National Institute of Standards and TechnologyUS134 papers
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Showing 2018 · physics.chem-phShow all
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physics.chem-ph2018★ 115 cited
Spectroscopic Signature of Oxidized Oxygen States in Peroxides
Zengqing Zhuo, Chaitanya Das Pemmaraju, John Vinson +12
Recent debates on the oxygen redox behaviors in battery electrodes have triggered a pressing demand for the reliable detection and understanding of non-divalent oxygen states beyon…
physics.chem-ph2018★ 60 cited
Improving Accuracy of Electrochemical Capacitance and Solvation Energetics in First-Principles Calculations
Ravishankar Sundararaman, Kendra Letchworth-Weaver, Kathleen Schwarz
Reliable first-principles calculations of electrochemical processes require accurate prediction of the interfacial capacitance, a challenge for current computationally-efficient co…