Simulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches-Reference-Cited by-同舟云学术

Simulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches

Published:2022-01 Issue:1 Volume:9 Page:014101
ISSN:2329-7778
Container-title:Structural Dynamics
language:en
Short-container-title:Structural Dynamics

Author:

Rodrigues Gabriel L. S.¹^ORCID,Diesen Elias²^ORCID,Voss Johannes²,Norman Patrick³^ORCID,Pettersson Lars G. M.¹^ORCID

Affiliation:

1. Department of Physics, AlbaNova University Center, Stockholm University, SE-10691 Stockholm, Sweden

2. SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA

3. Department of Theoretical Chemistry and Biology, School of Engineering Sciences in Chemistry, Biotechnology and Health, KTH Royal Institute of Technology, SE-106 91 Stockholm, Sweden

Funder

Knut och Alice Wallenbergs Stiftelse

U.S. Department of Energy

Publisher

AIP Publishing

Subject

Spectroscopy,Condensed Matter Physics,Instrumentation,Radiation

Link

https://aca.scitation.org/doi/pdf/10.1063/4.0000135

Reference86 articles.

1. Chemical bonding on surfaces probed by X-ray emission spectroscopy and density functional theory

2. Real-Time Observation of Surface Bond Breaking with an X-ray Laser

3. Selective Ultrafast Probing of Transient Hot Chemisorbed and Precursor States of CO on Ru(0001)

4. Probing the transition state region in catalytic CO oxidation on Ru

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Estimating vertical core-excitation energies from Møller–Plesset theory with spin projection;Molecular Physics;2024-09-04

2. Fractional-Electron and Transition-Potential Methods for Core-to-Valence Excitation Energies Using Density Functional Theory;Journal of Chemical Theory and Computation;2023-06-13