国家/地区 Italy（13）
关键词 DFT（13）
出版物 NANO LETTERS（2）
出版时间 2020（3） 2014（2） 2019（2） 2023（2）
机构
作者 GOMEZ CV（2） GUEVARA M（2） RESTUCCIA P（2） RIGHI MC（2）
TENE T（2）

H-2 Transformations on Graphene Supported Palladium Cluster: DFT-MD Simulations and NEB Calculations

CATALYSTS

FERRANTE F, PRESTIANNI A, BERTINI M, DUCA D

Unravelling electrocatalytic properties of metal porphyrin-like complexes hosted in graphene matrices

2D MATERIALS

RISPLENDI F, FIORENTIN MR, CICERO G

Quantum Mechanics/Molecular Mechanics (QM/MM) applied to tribology: Real-time monitoring of tribochemical reactions of water at graphene edges

COMPUTATIONAL MATERIALS SCIENCE

RESTUCCIA P, FERRARIO M, RIGHI MC

Improved understanding of metal-graphene contacts

MICROELECTRONIC ENGINEERING

DRIUSSI F, VENICA S, GAHOI A, GAMBI A, GIANNOZZI P, KATARIA S, LEMME MC, PALESTRI P, ESSENI D

Altering the Properties of Graphene on Cu(111) by Intercalation of Potassium Bromide

ACS NANO

SCHULZENDORF M, HINAUT A, KISIEL M, JOHR R, PAWLAK R, RESTUCCIA P, MEYER E, RIGHI MC, GLATZEL T

Boron-doped graphene as active electrocatalyst for oxygen reduction reaction at a fuel-cell cathode

JOURNAL OF CATALYSIS

FAZIO G, FERRIGHI L, DI VALENTIN C

Structural and electronic inhomogeneity for graphene grown on the C-face of SiC: Insights from ab initio calculations

APPLIED SURFACE SCIENCE

DERETZIS I, LA MAGNA A

Mechanisms for Oxidative Unzipping and Cutting of Graphene

NANO LETTERS

SUN T, FABRIS S

Tuning of the electronic properties of H-passivated armchair graphene nanoribbons by mild border oxidation: Theoretical study on periodic models

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

GHIGO G, MARANZANA A, TONACHINI G

Temperature-Driven Changes of the Graphene Edge Structure on Ni(111): Substrate vs Hydrogen Passivation

NANO LETTERS

PATERA LL, BIANCHINI F, TROIANO G, DRI C, CEPEK C, PERESSI M, AFRICH C, COMELLI G