Accurate Prediction of the Electronic Properties of Low-Dimensional Graphene Derivatives Using a Screened Hybrid Density Functional-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Accurate Prediction of the Electronic Properties of Low-Dimensional Graphene Derivatives Using a Screened Hybrid Density Functional

Published:2011-03-09 Issue:4 Volume:44 Page:269-279
ISSN:0001-4842
Container-title:Accounts of Chemical Research
language:en
Short-container-title:Acc. Chem. Res.

Author:

Barone Veronica¹,Hod Oded²,Peralta Juan E.¹,Scuseria Gustavo E.³

Affiliation:

1. Department of Physics, Central Michigan University, Mt. Pleasant, Michigan 48859, United States

2. Department of Chemical Physics, School of Chemistry, Tel Aviv University, Tel Aviv 69978, Israel

3. Department of Chemistry and Department of Physics & Astronomy, Rice University, Houston, Texas 77005, United States

Publisher

American Chemical Society (ACS)

Subject

General Medicine,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ar100137c

Reference45 articles.

1. Progress in the development of exchange-correlation functionals

2. Orbital-dependent density functionals: Theory and applications

3. Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids

4. Hybrid functionals based on a screened Coulomb potential

5. Efficient hybrid density functional calculations in solids: Assessment of the Heyd–Scuseria–Ernzerhof screened Coulomb hybrid functional

Cited by 114 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. Surface modification of graphene and fullerene with Sulfur (S), Selenium (Se), and Oxygen (O): DFT Simulation for enhanced zidovudine delivery in HIV treatment;BMC Chemistry;2024-08-27

2. Reentrant semiconducting behavior in polymerized fullerite structures with increasing sp³-carbon content;Journal of Physics: Condensed Matter;2024-06-14

3. Mechanical properties and functionalization of Graphene oxide‐Thermoplastic polyurethane polymer composites regulated by internal microstructure: From disorder arrangement to nacre‐like laminated structure;Polymer Composites;2024-04-27

4. A novel 2D VC₄ as a promising Na-host material for Na-ion batteries: computational insights;Journal of Materials Chemistry A;2024

5. A quantum mechanical approach to the oxidation mechanism of graphene oxide (GO);Heliyon;2024-01

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