DFT + U Simulation of the X-ray Absorption Near-Edge Structure of Bulk UO2 and PuO2-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

DFT + U Simulation of the X-ray Absorption Near-Edge Structure of Bulk UO₂ and PuO₂

Published:2023-09-05 Issue:36 Volume:127 Page:17994-18000
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Chen Jia-Li¹^ORCID,Blaha Peter²^ORCID,Kaltsoyannis Nikolas¹^ORCID

Affiliation:

1. Department of Chemistry, University of Manchester, Oxford Road, Manchester M13 9PL, United Kingdom

2. Institute of Materials Chemistry, TU Vienna, Vienna A-1060, Austria

Funder

Engineering and Physical Sciences Research Council

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.3c03143

Reference41 articles.

1. Nature of the5fstates in actinide metals

2. Oxidation and crystal field effects in uranium

3. Spectral properties ofδ-plutonium: Sensitivity to5foccupancy

4. Unoccupied electronic structure of actinide dioxides

5. The apparent absence of chemical sensitivity in the 4d and 5d X-ray absorption spectroscopy of uranium compounds

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370

www.globalauthorid.com

TOP