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Energy

Working Paper

Can Doping of Transition Metal Oxide Cathode Materials Increase Achievable Voltages with Multivalent Metals?

Daniel Koch, Sergei Manzhos

Version 1 posted 29 October 2019

987

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Theoretical and Computational Chemistry

Working Paper

Oxygen Redox Activity in Cathodes – a Common Phenomenon Calling for Density-Based Descriptors

Daniel Koch, Sergei Manzhos

Version 1 posted 22 May 2020

501

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Inorganic Chemistry

Working Paper

Electrodeposition of Atmosphere-Sensitive Ternary Sodium Transition Metal Oxide Films for Sodium-Based Electrochemical Energy Storage

Arghya Patra, Jerome Davis III, Saran Pidaparthy, Manohar H. Karigerasi, Beniamin Zahiri, Ashish A. Kulkarni, Michael A. Caple, Daniel P. Shoemaker, Jian-min Zuo, Paul V. Braun

Version 1 posted 12 April 2021

520

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Catalysis

Working Paper

Bismuth Substituted Strontium Cobalt Perovskites for Catalyzing Oxygen Evolution

Denis Kuznetsov, Jiayu Peng, Livia Giordano, Yuriy Román-Leshkov, Yang Shao-Horn

Version 1 posted 11 July 2019

794

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Theoretical and Computational Chemistry

Working Paper

Stable Surfaces that Bind too Tightly: Can Range Separated Hybrids or DFT+U Improve Paradoxical Descriptions of Surface Chemistry?

Qing Zhao, Heather Kulik

Version 1 posted 06 June 2019

531

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Theoretical and Computational Chemistry

Working Paper

Electrostatic estimation of intercalant jump-diffusion barriers using finite-size ion models

Nils Zimmermann, Daniel C. Hannah, Ziqin Rong, Miao Liu, Gerbrand Ceder, Maciej Haranczyk, Kristin A. Persson

Version 1 posted 05 December 2017

753

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Physical Chemistry

Working Paper

Measuring Theoretical Descriptors of Water Oxidation: Free Energy Differences Between Intermediates Using Time-Resolved Optical Spectroscopy

Ilya Vinogradov, Suryansh Singh, Hanna Lyle, Aritra Mandal, Jan Rossmeisl, Tanja Cuk

Version 2 posted 15 March 2021

992

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Physical Chemistry

Working Paper

Ligand field states control photocatalytic efficiency of transition metal oxides

Michael Sachs, Liam Harnett-Caulfield, Ernest Pastor, Bernadette Davies, Daniel J. C. Sowood, Benjamin Moss, Andreas Kafizas, Jenny Nelson, Aron Walsh, James R. Durrant

Version 1 posted 26 April 2024

114

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8 results in Transition metal oxides in Keywords: Transition metal oxides

Can Doping of Transition Metal Oxide Cathode Materials Increase Achievable Voltages with Multivalent Metals?

Oxygen Redox Activity in Cathodes – a Common Phenomenon Calling for Density-Based Descriptors

Electrodeposition of Atmosphere-Sensitive Ternary Sodium Transition Metal Oxide Films for Sodium-Based Electrochemical Energy Storage

Bismuth Substituted Strontium Cobalt Perovskites for Catalyzing Oxygen Evolution

Stable Surfaces that Bind too Tightly: Can Range Separated Hybrids or DFT+U Improve Paradoxical Descriptions of Surface Chemistry?

Electrostatic estimation of intercalant jump-diffusion barriers using finite-size ion models

Measuring Theoretical Descriptors of Water Oxidation: Free Energy Differences Between Intermediates Using Time-Resolved Optical Spectroscopy

Ligand field states control photocatalytic efficiency of transition metal oxides

8 results in Keywords: Transition metal oxides