国家/地区 Brazil（12）
关键词 GRAPHENE（4） CARBON NANOMATERIAL（2） DENSITY FUNCTIONAL .（2）
MOLECULAR DYNAMIC（2）
出版物 JOURNAL OF MOLECULAR MODELING（12）
出版时间 2019（4） 2023（3） 2021（2）
机构 UNIV BRASILI.（4）
作者 RIBEIRO LA（4） FAGAN SB（3） SILVA GME（3） TONEL MZ（3）
BARBOSA MC（2） DA CUNHA WF（2） NETO PHD（2）

Electric double layer formation and storing energy processes on graphene-based supercapacitors from electrical and thermodynamic perspectives

JOURNAL OF MOLECULAR MODELING

FILETI EE

Density functional theory study of pi-aromatic interaction of benzene, phenol, catechol, dopamine isolated dimers and adsorbed on graphene surface

JOURNAL OF MOLECULAR MODELING

DE MORAES EE, TONEL MZ, FAGAN SB, BARBOSA MC

Stability conditions of armchair graphene nanoribbon bipolarons

JOURNAL OF MOLECULAR MODELING

ABREU AVP, RIBEIRO LA, SILVA GG, PEREIRA ML, ENDERS BG, FONSECA ALA, SILVA GME

Defective graphene domains in boron nitride sheets

JOURNAL OF MOLECULAR MODELING

DOS SANTOS RM, SANTOS RB, NETO BGE, SILVA GME, RIBEIRO LA

CO2 adsorption in nitrogen-doped single-layered graphene quantum dots: a spectroscopic investigation

JOURNAL OF MOLECULAR MODELING

NETO PHD, RODRIGUES JPCC, DE SOUSA LE, GARGANO R, DA CUNHA WF

Bond length pattern associated with charge carriers in armchair graphene nanoribbons

JOURNAL OF MOLECULAR MODELING

TEIXEIRA JF, NETO PHD, DA CUNHA WF, RIBEIRO LA, SILVA GME

Novel octa-graphene-like structures based on GaP and GaAs

JOURNAL OF MOLECULAR MODELING

LARANJEIRA JAS, MARTINS NF, AZEVEDO SA, FABRIS GSL, SAMBRANO JR

Theoretical study of small aromatic molecules adsorbed in pristine and functionalised graphene

JOURNAL OF MOLECULAR MODELING

TONEL MZ, ZANELLA I, FAGAN SB

Ab initio study of water anchored in graphene pristine and vacancy-type defects

JOURNAL OF MOLECULAR MODELING

TONEL MZ, ABAL JPK, FAGAN SB, BARBOSA MC

On the Stabilization of Carbynes Encapsulated in Penta-Graphene Nanotubes: a DFT Study

JOURNAL OF MOLECULAR MODELING

ROCHA RA, DOS SANTOS RB, RIBEIRO LA, AGUIAR AL