Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches
出版年份 2018 全文链接
标题
Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches
作者
关键词
-
出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 20, Issue 13, Pages 8456-8459
出版商
Royal Society of Chemistry (RSC)
发表日期
2018-03-12
DOI
10.1039/c7cp08209f
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Charge-modulated CO 2 capture of C 3 N nanosheet: Insights from DFT calculations
- (2018) Xiaofang Li et al. CHEMICAL ENGINEERING JOURNAL
- Electric field controlled CO2capture and CO2/N2separation on MoS2monolayers
- (2017) Qiao Sun et al. Nanoscale
- Charge- and Electric-Field-Controlled Switchable Carbon Dioxide Capture and Gas Separation on a C2 N Monolayer
- (2017) Gang-qiang Qin et al. Energy Technology
- Conductive Boron-Doped Graphene as an Ideal Material for Electrocatalytically Switchable and High-Capacity Hydrogen Storage
- (2016) Xin Tan et al. ACS Applied Materials & Interfaces
- Polarization-driven catalysis via ferroelectric oxide surfaces
- (2016) Arvin Kakekhani et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Improving Ni Catalysts Using Electric Fields: A DFT and Experimental Study of the Methane Steam Reforming Reaction
- (2016) Fanglin Che et al. ACS Catalysis
- Layered Graphene-Hexagonal BN Nanocomposites: Experimentally Feasible Approach to Charge-Induced Switchable CO2Capture
- (2015) Xin Tan et al. ChemSusChem
- Charge Modulation in Graphitic Carbon Nitride as a Switchable Approach to High-Capacity Hydrogen Storage
- (2015) Xin Tan et al. ChemSusChem
- CO2 Capture on h-BN Sheet with High Selectivity Controlled by External Electric Field
- (2015) Hongyan Guo et al. Journal of Physical Chemistry C
- Conductive Graphitic Carbon Nitride as an Ideal Material for Electrocatalytically Switchable CO2 Capture
- (2015) Xin Tan et al. Scientific Reports
- Density Functional Theory study of electric field effects on CO and OH adsorption and co-adsorption on gold surfaces
- (2013) Andrey A. Koverga et al. ELECTROCHIMICA ACTA
- Quantifying Artifacts in Ewald Simulations of Inhomogeneous Systems with a Net Charge
- (2013) Jochen S. Hub et al. Journal of Chemical Theory and Computation
- Charge-Controlled Switchable CO2 Capture on Boron Nitride Nanomaterials
- (2013) Qiao Sun et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Enhanced hydrogen storage properties under external electric fields of N-doped graphene with Li decoration
- (2013) Sangho Lee et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Finite-Size Supercell Correction for Charged Defects at Surfaces and Interfaces
- (2013) Hannu-Pekka Komsa et al. PHYSICAL REVIEW LETTERS
- cp2k: atomistic simulations of condensed matter systems
- (2013) Jürg Hutter et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Opportunities and challenges for a sustainable energy future
- (2012) Steven Chu et al. NATURE
- Effect of the damping function in dispersion corrected density functional theory
- (2011) Stefan Grimme et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Electric field enhanced hydrogen storage on polarizable materials substrates
- (2010) J. Zhou et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search