国家/地区 China（9） India（5） Uruguay（4） Germany（2）
Italy（2） Spain（2）
关键词 DENSITY FUNCTIONAL CALCULATION（31）
出版物 CHEMPHYSCHEM（31）
出版时间 2014（6） 2015（5） 2013（4） 2018（4） 2017（3） 2019（2） 2022（2）
机构 UDELAR（3）
作者 DENIS PA（4）

Single-Atom Catalysis Using Chromium Embedded in Divacant Graphene for Conversion of Dinitrogen to Ammonia

CHEMPHYSCHEM

RIYAZ M, GOEL N

Density Functional Theory Study of Aspirin Adsorption on BCN Sheets and their Hydrogen Evolution Reaction Activity: a Comparative Study with Graphene and Hexagonal Boron Nitride

CHEMPHYSCHEM

YADAV VK, MIR SH, SINGH JK

Mechanism of Charge Separation and Frontier Orbital Structure in Graphitic Carbon Nitride and Graphene Quantum Dots

CHEMPHYSCHEM

ULLAH N, CHEN SW, ZHANG RQ

Density Functional Theory Calculations of the Quantum Capacitance of Graphene Oxide as a Supercapacitor Electrode

CHEMPHYSCHEM

SONG C, WANG JY, MENG ZL, HU FY, JIAN XG

Insight into the Interactions of Amyloid -Sheets with Graphene Flakes: Scrutinizing the Role of Aromatic Residues in Amyloids that Interact with Graphene

CHEMPHYSCHEM

BOZINOVSKI DM, PETROVIC PV, BELIC MR, ZARIC SD

Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations

CHEMPHYSCHEM

WILSON J, FAGINASLAGO N, VEKEMAN J, CUESTA IG, SANCHEZMARIN J, DE MERAS AS

Chemical Reactivity and Band-Gap Opening of Graphene Doped with Gallium, Germanium, Arsenic, and Selenium Atoms

CHEMPHYSCHEM

DENIS PA

A Theoretical Study of the Interaction of Hydrogen and Oxygen with Palladium or Gold Adsorbed on Pyridine-Like Nitrogen-Doped Graphene

CHEMPHYSCHEM

RANGEL E, MAGANA LF, SANSORES LE

Band-Gap Manipulations of Monolayer Graphene by Phenyl Radical Adsorptions: A Density Functional Theory Study

CHEMPHYSCHEM

HUANG L, SK MA, CHEN P, LIM KH

Reactivity of Graphene and Hexagonal Boron Nitride In-Plane Heterostructures with Oxygen: A DFT Study

CHEMPHYSCHEM

NGUYEN MT