Electrochemical reduction of CO 2 into value-added chemicals should reduce the
consumption of fossil fuels and counteract global warming caused by CO 2 generation …

This study employs density functional theory (DFT) and density functional tight-binding
theory (DFTB) to determine the adsorption properties of carbon dioxide (CO 2), methane …

A new class of two-dimensional carbon-based materials, N-carbophenes, is studied using
tight binding density functional theory. The present study addresses the influence of strain …

Starting from the planar molecule 1, 3, 5-trihydroxybenzene, Du et al reported synthesizing
one of a couple of possible 2D materials: graphenylene or 3-carbophene [1]. 3-carbophene …

The presented data relates to the investigation of the adsorption properties of carbon dioxide
(CO 2), methane (CH 4), and dihydrogen (H 2) within pristine and functionalized …

N-carbophenes are two-dimensional covalent organic frameworks (2D-COF) that
incorporate low-mobility bands and band gaps. These are promising materials that have …

Quase duas décadas atrás, a síntese do grafeno desencadeou uma série de novas
investigações sobre materiais bidimensionais teoricamente promissores. Graças à …

The atypical mechanical properties of the twodimensional allotropes of carbon place them
as promising new materials for nanotechnological applications [1, 2, 3]. In this study, we …

N-carbophenes (carbophenes) are a novel class of porous 2D hydrocarbons consisting of
alternating units of (N) cyclohexatriene and (N-1) cyclobutene. Carbophenes can be viewed …