国家/地区 China（4） Iran（3）
关键词 DFT（8）
出版物 CHEMISTRYSELECT（8）
出版时间 2018（3） 2017（2） 2019（2）
机构 CHENGDU UNIV.（2） UNIV MARAGHE.（2）
作者 ESRAFILI MD（3） GUO Y（2） LAI Q（2） ZHAO ML（2）

Electrochemical Reduction of N-2 to NH3 Using a Co-Atom Stabilized on Defective N-Doped Graphene: A Computational Study

CHEMISTRYSELECT

SAEIDI N, ESRAFILI MD, SARDROODI JJ

Adsorption of Bromonitromethane over Graphene-Based Substrates: A Density Functional Theory Analysis

CHEMISTRYSELECT

MANDEEP, SHARMA L, KAKKAR R

Exploring Reaction Mechanisms for the Reduction of NO Molecules over Al- or Si-Anchored Graphene Oxide: A Metal-Free Approach

CHEMISTRYSELECT

ESRAFILI MD

First-Principles Study on the Adsorption of HF on Reduced Graphene Oxide

CHEMISTRYSELECT

ZHAO ML, LAI Q, XIAO D, GUO Y

CO Oxidation Catalyzed by a Single Ti Atom Supported on Divacancy Defective Graphene: A Dispersion-Corrected DFT Study

CHEMISTRYSELECT

ESRAFILI MD, HEYDARI S

Insights into the Adsorption of Resveratrol on Graphene Oxide: A First-Principles Study

CHEMISTRYSELECT

ZHAO ML, LAI Q, GUO JL, GUO Y

The Neglected Significant Role for Graphene-Based Acetylene Hydrochlorination Catalysts - Intrinsic Graphene Defects

CHEMISTRYSELECT

ZHAO F, KANG LH

CO2 Capture and Separation by Mono-Vacancy Doped Graphene in Electric Field: A DFT study

CHEMISTRYSELECT

WANG Y, WANG HH, ZHANG N, WANG DQ, WANG RC, PENG WC, ZHANG JS, LIU JC, ZHANG JL