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Deciphering the oxygen absorption pre-edge: a caveat on its application for probing oxygen redox reactions in batteries

Subhayan Roychoudhury, Ruimin Qiao, Zengqing Zhuo, Qinghao Li, Yingchun Lyu, Jung-Hyun Kim, Jun Liu, Eungje Lee, Bryant J. Polzin, Jinghua Guo, Shishen Yan, Yongsheng Hu, Hong Li, David Prendergast, Wanli Yang

Version 3 posted 29 May 2020

1,572

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Theoretical and Computational Chemistry

Working Paper

Random Forest Machine Learning Models for Interpretable X-Ray Absorption Near-Edge Structure Spectrum-Property Relationships

Steven Torrisi, Matthew Carbone, Brian Rohr, Joseph H. Montoya, Yang Ha, Junko Yano, Santosh Suram, Linda Hung

Version 1 posted 20 February 2020

753

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Nanoscience

Working Paper

Site-Specific Electronic Properties of [Ag25(SR)18]- Nanoclusters by X-Ray Spectroscopy

Ziyi Chen, Andrew Walsh, xiao wei, Manzhou Zhu, Peng Zhang

Version 1 posted 16 November 2020

363

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Catalysis

Working Paper

Structural Evolution in Photodeposited Nickel (Oxy)hydroxide Oxygen Evolution Electrocatalysts

Martin Schoen, Nicholas Randell, Oliver Calderon, Santiago Jimenez Villegas, Zachary Thomson, Roman Chernikov, Simon Trudel

Version 1 posted 21 July 2020

421

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Materials Science

Working Paper

Controlled Experiments and Optimized Theory of Absorption Spectra of Li Metal and Salts

Subhayan Roychoudhury, Zengqing Zhuo, Ruimin Qiao, Liwen Wan, Yufeng Liang, Feng Pan, Yi-de Chuang, David Prendergast, Wanli Yang

Version 2 posted 18 June 2021

543

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Materials Science

Working Paper

Study of Structural & Magnetic Properties of CoN Thin Films

Mukul Gupta, Yogesh Kumar, Nidhi Pandey, Akhil Tayal, Wolfgang Caliebe, Jochen Stahn

Version 1 posted 13 June 2019

631

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Inorganic Chemistry

Working Paper

Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex

Natalie Rice, Ivan Popov, Dominic Russo, John Bacsa, Enrique Batista, Ping Yang, Joshua Telser, Henry La Pierre

Version 1 posted 24 June 2019

692

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Nanoscience

Working Paper

Interactions between Ultrastable Na4Ag44(SR)30 Nanoclusters and Coordinating Solvents: Uncovering the Atomic-scale Mechanism

Daniel M. Chevrier, Brian E. Conn, Bo Li, De-En Jiang, Terry P. Bigioni, Amares Chatt, Peng Zhang

Version 1 posted 03 June 2020

423

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1

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Theoretical and Computational Chemistry

Working Paper

Generalized Single Excitation Configuration Interaction: An Investigation into the Impact of the Inclusion of Non-Orthogonality on the Calculation of Core-Excited States

Katherine J. Oosterbaan, Alec F. White, Diptarka Hait, Martin Head-Gordon

Version 1 posted 13 December 2019

458

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Inorganic Chemistry

Working Paper

Detection and Characterization of Mononuclear Pd(I) Complexes

Jia Luo, Nigam P. Rath, Liviu M. Mirica

Version 1 posted 15 June 2020

724

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Refine Search

49 results in X-ray Absorption Spectroscopy in Keywords: X-ray Absorption Spectroscopy

Deciphering the oxygen absorption pre-edge: a caveat on its application for probing oxygen redox reactions in batteries

Random Forest Machine Learning Models for Interpretable X-Ray Absorption Near-Edge Structure Spectrum-Property Relationships

Site-Specific Electronic Properties of [Ag25(SR)18]- Nanoclusters by X-Ray Spectroscopy

Structural Evolution in Photodeposited Nickel (Oxy)hydroxide Oxygen Evolution Electrocatalysts

Controlled Experiments and Optimized Theory of Absorption Spectra of Li Metal and Salts

Study of Structural & Magnetic Properties of CoN Thin Films

Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex

Interactions between Ultrastable Na4Ag44(SR)30 Nanoclusters and Coordinating Solvents: Uncovering the Atomic-scale Mechanism

Generalized Single Excitation Configuration Interaction: An Investigation into the Impact of the Inclusion of Non-Orthogonality on the Calculation of Core-Excited States

Detection and Characterization of Mononuclear Pd(I) Complexes

49 results in Keywords: X-ray Absorption Spectroscopy