国家/地区 Brazil（2）
关键词 EXCITED STATE（2）
出版物
出版时间 2019（2）
机构 TEXAS TECH U.（2） TIANJIN UNIV（2）
作者 MACHADO FBC（5）

The characterization of electronic defect states of single and double carbon vacancies in graphene sheets using molecular density functional theory

MOLECULAR PHYSICS

PINHEIRO M, CARDOSO DVV, AQUINO AJA, MACHADO FBC, LISCHKA H

High-level theoretical benchmark investigations of the UV-vis absorption spectra of paradigmatic polycyclic aromatic hydrocarbons as models for graphene quantum dots

JOURNAL OF CHEMICAL PHYSICS

SHI BM, NACHTIGALLOVA D, AQUINO AJA, MACHADO FBC, LISCHKA H

The Diverse Manifold of Electronic States Generated by a Single Carbon Defect in a Graphene Sheet: Multireference Calculations Using a Pyrene Defect Model

CHEMPHYSCHEM

MACHADO FBC, AQUINO AJA, LISCHKA H

Single and double carbon vacancies in pyrene as first models for graphene defects: A survey of the chemical reactivity toward hydrogen

CHEMICAL PHYSICS

NIEMAN R, DAS A, AQUINO AJA, AMORIM RG, MACHADO FBC, LISCHKA H

The electronic states of a double carbon vacancy defect in pyrene: a model study for graphene

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

MACHADO FBC, AQUINO AJA, LISCHKA H