国家/地区 Argentina（10）
关键词 DFT（10）
出版物 ELECTROCHIMICA ACTA（2） INTERNATIONAL JOURN.（2） JOURNAL OF THEORETI.（2）
出版时间 2018（2） 2019（2） 2020（2）
机构 UNIV NACL SU.（4） UNIV NACL CO.（2）
作者 CASTELLANI N.（4） FERULLO RM（4） DOMANCICH NF（3） BARRACO D（2）
LEIVA EPM（2） LUQUE GL（2）

DFT study of the hydrogen adsorption and storage on Ni-4 cluster embedded in multivacancy graphene

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

ORAZI V, AMBRUSI RE, MARCHETTI JM, PRONSATO ME

Theoretical study of glycine amino acid adsorption on graphene oxide

JOURNAL OF MOLECULAR MODELING

ROSSIFERNANDEZ AC, VILLEGASESCOBAR N, GUZMANANGEL D, GUTIERREZOLIVA S, FERULLO RM, CASTELLANI NJ, TOROLABBE A

Modeling of substitutionally modified graphene structures to prevent the shuttle mechanism in lithium-sulfur batteries

ELECTROCHIMICA ACTA

VELEZ P, PARA ML, LUQUE GL, BARRACO D, LEIVA EPM

Aluminum adsorption on graphene: Theoretical study of dispersion effects

JOURNAL OF THEORETICAL COMPUTATIONAL CHEMISTRY

FERNANDEZ ACR, DOMANCICH NF, FERULLO RM, CASTELLANI NJ

DFT study of hydrogen adsorption on Ni/graphene

APPLIED SURFACE SCIENCE

AMAYARONCANCIO S, BLANCO AAG, LINARES DH, SAPAG K

Catalytic properties of graphene doped with transition metals

MATERIARIO DE JANEIRO

ARAMBURU V, LOPEZ M, FASOLI H

DFT study on the interaction between atomic aluminum and graphene

JOURNAL OF THEORETICAL COMPUTATIONAL CHEMISTRY

DOMANCICH NF, FERULLO RM, CASTELLANI NJ

Hydrogen adsorption on palladium dimer decorated graphene: A bonding study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

LOPEZCORRAL I, GERMAN E, JUAN A, VOLPE MA, BRIZUELA GP

First-Principles studies of silicon underpotential deposition on defective graphene and its relevance for lithium-ion battery materials

ELECTROCHIMICA ACTA

URQUIZA ML, OTERO M, LUQUE GL, BARRACO D, LEIVA EPM

Interaction of aluminum dimer with defective graphene

COMPUTATIONAL THEORETICAL CHEMISTRY

DOMANCICH NF, FERULLO RM, CASTELLANI NJ