DFTB Modeling of Lithium-Intercalated Graphite with Machine-Learned Repulsive Potential-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

DFTB Modeling of Lithium-Intercalated Graphite with Machine-Learned Repulsive Potential

Published:2021-01-09 Issue:2 Volume:125 Page:691-699
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Panosetti Chiara¹^ORCID,Anniés Simon B.¹,Grosu Cristina¹²,Seidlmayer Stefan³,Scheurer Christoph¹^ORCID

Affiliation:

1. Department of Chemistry, Technische Universität München, Lichtenbergstr. 4, 85748 Garching b. München, Germany

2. Institute of Energy and Climate Research (IEK-9), Forschungszentrum Jülich, 52425 Jülich, Germany

3. Heinz Maier-Leibnitz Zentrum (MLZ), Technische Universität München, Lichtenbergstr. 1, 85748 Garching b. München, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c09388

Reference44 articles.

1. Extreme melt on Canada's Arctic ice caps in the 21st century

2. Recent melt rates of Canadian arctic ice caps are the highest in four millennia

3. CO2, the greenhouse effect and global warming: from the pioneering work of Arrhenius and Callendar to today's Earth System Models

4. Hennig, G. R. Progress in Inorganic Chemistry; John Wiley & Sons, Inc., 1959; pp 125–205.

Cited by 13 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. Material design modelling for optimisation of lithium battery fast charging;Journal of Solid State Electrochemistry;2024-06-21

2. Probing the range of applicability of structure‐ and energy‐adjusted QM/MM link bonds III: QM/MM MD simulations of solid‐state systems at the example of layered carbon structures;Journal of Computational Chemistry;2024-05-25

3. Towards hybrid quantum mechanical/molecular mechanical simulations of Li and Na intercalation in graphite – force field development and DFTB parametrisation;Physical Chemistry Chemical Physics;2024

4. Comparison of Density-Functional Theory Dispersion Corrections for the DES15K Database;The Journal of Physical Chemistry A;2023-10-04

5. Black box vs gray box: Comparing GAP and GPrep-DFTB for ruthenium and ruthenium oxide;The Journal of Chemical Physics;2023-06-12

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