国家/地区 Mexico（18）
关键词 DENSITY FUNCTIONAL THEORY（18）
出版物 JOURNAL OF MOLECULA.（4） APPLIED SURFACE SCI.（2） DIAMOND RELATED MAT.（2）
出版时间 2019（4） 2021（3） 2011（2） 2013（2） 2016（2）
机构 UNIV NACL AU.（6） BENEMERITA U.（2）
作者 BASIUK VA（4） COCOLETZI GH（3） ANOTA EC（2） BASIUK EV（2）
DE LA CRUZ M.（2） MENDOZADOMIN.（2） PENACASTANED.（2）

Exploring the potential of graphene oxide as a functional material to produce hydrocarbons via photocatalysis: Theory meets experiment

FUEL

CELAYA CA, DELESMA C, VALADESPELAYO PJ, JARAMILLOQUINTERO OA, CASTILLOARAIZA CO, RAMOS L, SEBASTIAN PJ, MUNIZ J

Effect of structural defects on the strength of adsorption of La and Lu species on graphene

DIAMOND RELATED MATERIALS

BASIUK VA, KAKAZEY M, VLASOVA M, BASIUK EV

Quantum mechanical study of chemical reactivity of graphene doped with iron in aqueous medium for applications in biomedicine

JOURNAL OF NANOPARTICLE RESEARCH

LOPEZCHAVEZ E, GARCIAQUIROZ A, PENACASTANEDA YA, DIAZGONGORA JAI, CASTILLOALVARADO FD

Density functional theory calculations of the radial breathing mode in graphene quantum dots

JOURNAL OF NANOPHOTONICS

MARTINEZ MO, MARTINEZ ANP, TAPIA VMR, FIGUEROA JLC, MOWBRAY DJ, ORDONEZ CV

Studies of hydrogen sulfide and ammonia adsorption on P- and Si-doped graphene: density functional theory calculations

JOURNAL OF MOLECULAR MODELING

PADILLA VEC, DE LA CRUZ MTR, ALVARADO YEA, DIAZ RG, GARCIA CER, COCOLETZI GH

Optical Absorption and Reflectivity of a Molecular Cluster of Lithium Niobate Adsorbed on a Graphene Layer

CRYSTALS

SALAS O, GARCES E, MAGANA LF

First principles calculations of phenol adsorption on pristine and group III (B, Al, Ga) doped graphene layers

JOURNAL OF MOLECULAR MODELING

AVILA Y, COCOLETZI GH, ROMERO MT

Surface diffusion and coverage effect of Li atom on graphene as studied by several density functional theory methods

APPLIED SURFACE SCIENCE

JI Z, CONTRERASTORRES FF, JALBOUT AF, RAMIREZTREVINO A

Interaction of a water molecule with a graphene layer

REVISTA MEXICANA DE FISICA

CORTES ER, SOLIS LFM, ARELLANO JS

First principles studies of the graphene-phenol interactions

JOURNAL OF MOLECULAR MODELING

HERNANDEZ JMG, ANOTA EC, DE LA CRUZ MTR, MELCHOR MG, COCOLETZI GH