国家/地区 Usa（4） China（3）
关键词 DENSITY FUNCTIONAL THEORY（10）
出版物 ACS CATALYSIS（10）
出版时间 2019（4） 2014（2） 2023（2）
机构
作者 KROPP T（3） MAVRIKAKIS M（3） BHANDARI S（2） REBARCHIK M（2）

Constant Electrode Potential Quantum Mechanical Study of CO2 Electrochemical Reduction Catalyzed by N-Doped Graphene

ACS CATALYSIS

CHANG K, ZHANG HC, CHEN JGG, LU Q, CHENG MJ

Transition Metal Atoms Embedded in Graphene: How Nitrogen Doping Increases CO Oxidation Activity

ACS CATALYSIS

KROPP T, MAVRIKAKIS M

Single Mo-1(Cr-1) Atom on Nitrogen-Doped Graphene Enables Highly Selective Electroreduction of Nitrogen into Ammonia

ACS CATALYSIS

ZHAO WH, ZHANG LF, LUO QQ, HU ZP, ZHANG WH, SMITH S, YANG JL

Effect of Substitutionally Doped Graphene on the Activity of Metal Nanoparticle Catalysts for the Hydrogen Oxidation Reaction

ACS CATALYSIS

GILES SA, YAN YS, VLACHOS DG

Density-Functional-Theory Calculation Analysis of Active Sites for Four-Electron Reduction of O-2 on Fe/N-Doped Graphene

ACS CATALYSIS

LIANG W, CHEN JX, LIU YW, CHEN SL

Role of Au in Graphene Growth on a Ni Surface

ACS CATALYSIS

HUANG YC, DU JY, ZHOU T, LING CY, WANG SF, GENG BY

Single and Multiple Doping in Graphene Quantum Dots: Unraveling the Origin of Selectivity in the Oxygen Reduction Reaction

ACS CATALYSIS

FAVARO M, FERRIGHI L, FAZIO G, COLAZZO L, DI VAENTIN C, DURANTE C, SEDONA F, GENNARO A, AGNOLI S, GRANOZZI G

Theoretical Screening of Transition Metal-N-4-Doped Graphene for Electroreduction of Nitrate

ACS CATALYSIS

WANG Y, SHAO MH

Insights into the Oxygen Evolution Reaction on Graphene-Based Single-Atom Catalysts from First-Principles-Informed Microkinetic Modeling

ACS CATALYSIS

REBARCHIK M, BHANDARI S, KROPP T, MAVRIKAKIS M

Insights into the Oxygen Evolution Reaction on Graphene-Based Single-Atom Catalysts from First-Principles-Informed Microkinetic Modeling

ACS CATALYSIS

MAVRIKAKIS M, BHANDARI S, KROPP T, REBARCHIK M