Charge Density and Redox Potential of LiNiO2 Using Ab Initio Diffusion Quantum Monte Carlo-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Charge Density and Redox Potential of LiNiO2 Using Ab Initio Diffusion Quantum Monte Carlo

Published:2020-02-06 Issue:11 Volume:124 Page:5893-5901
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Saritas Kayahan¹^ORCID,Fadel Eric R.¹²³,Kozinsky Boris²³^ORCID,Grossman Jeffrey C.¹^ORCID

Affiliation:

1. Materials Science and Engineering Department, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States

2. John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138, United States

3. Robert Bosch LLC, Research and Technology Center North America, 255 Main St, Cambridge, Massachusetts 02142, United States

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.9b10372

Reference113 articles.

1. Lithium insertion into manganese spinels

2. Technology: A solid future

4. Ab initiostudy of lithium intercalation in metal oxides and metal dichalcogenides

5. Identification of cathode materials for lithium batteries guided by first-principles calculations

Cited by 18 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. Confluence of electronic structure calculations (DFT) and machine learning (ML) for lithium and sodium-ion batteries: a theoretical perspective;Engineering Research Express;2024-08-30

2. Enhancing MnBi₂Te₄ Stability by Doping;The Journal of Physical Chemistry C;2024-06-05

3. Compton scattering study of strong orbital delocalization in a LiNiO2 cathode;Physical Review B;2024-01-17

4. On two-dimensional metal borides (MBenes) as anode materials for metal-ion batteries: A first-principles study;Computational Materials Science;2024-01

5. Optimization strategies developed on NiO for Heisenberg exchange coupling calculations using projector augmented wave based first-principles DFT+U+J;Physical Review B;2023-12-14

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

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号京ICP备18003416号-3