Theoretical assessment of vibrationally resolved C1s X-ray photoelectron spectra of simple cyclic molecules-Reference-Cited by-同舟云学术

Theoretical assessment of vibrationally resolved C1s X-ray photoelectron spectra of simple cyclic molecules

Published:2020 Issue:35 Volume:22 Page:20014-20026
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Hua Weijie¹²³⁴⁵^ORCID,Tian Guangjun⁶²⁷⁸⁵^ORCID,Luo Yi⁹¹⁰¹¹⁵

Affiliation:

1. Department of Applied Physics

2. School of Science

3. Nanjing University of Science and Technology

4. 210094 Nanjing

5. China

6. Key Laboratory for Microstructural Material Physics of Hebei Province

7. Yanshan University

8. Qinhuangdao 066004

9. Hefei National Laboratory for Physical Science at the Microscale

10. University of Science and Technology of China

11. 230026 Hefei

Abstract

Vibrationally-resolved K-edge XPS simulation by the full/equivalent core-hole method is enabled and assessment of the C1s spectra of cyclic molecules shows excellent/acceptable agreement with the experiment.

Funder

Natural Science Foundation of Jiangsu Province

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP02970J

Reference73 articles.

1. Thermally Activated Delayed Fluorescence in an Organic Cocrystal: Narrowing the Singlet–Triplet Energy Gap via Charge Transfer

2. Density-Matrix Approach for the Electroluminescence of Molecules in a Scanning Tunneling Microscope

3. Fluorescence and Phosphorescence of Single C60Molecules as Stimulated by a Scanning Tunneling Microscope

4. Spectroscopy of molecular junctions

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