国家/地区 Argentina（7）
关键词 DFT（2） GRAPHENE（2）
出版物 ELECTROCHIMICA ACTA（3）
出版时间
机构 UNIV NACL CO.（5）
作者 LEIVA EPM（7）

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

Interferents for hydrogen storage on a graphene sheet decorated with nickel: A DFT study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

SIGAL A, ROJAS MI, LEIVA EPM

The origin of the catalysis of hydrogen peroxide reduction by functionalized graphene surfaces: A density functional theory study

ELECTROCHIMICA ACTA

LUQUE GL, ROJAS MI, RIVAS GA, LEIVA EPM

Density functional theory study of a graphene sheet modified with titanium in contact with different adsorbates

PHYSICAL REVIEW B

ROJAS MI, LEIVA EPM

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

Changes in electronic structure of graphene by adsorption of low melamine coverages

SURFACE SCIENCE

PANTANO FR, LEIVA EPM, ROJAS MI

On the role of oxidized graphene interfaces in lithium sulfur batteries: Thermodynamic and kinetic aspects using density functional theory

APPLIED SURFACE SCIENCE

VELEZ P, ROJAS MD, VELASCO J, PARA ML, BARRACO D, LEIVA EPM, LUQUE GL