Results 1 to 10 of about 3,750 (200)
, 2018 We conducted density functional theory (DFT) and molecular dynamics simulations to explore the mechanical/failure, thermal conductivity and stability, electronic and optical properties of three N-graphdiyne nanomembranes.
Fan, Zheyong +4 more
core +1 more source
Condensed Matter Physics, 2020 Using first-principles calculation, geometrical stability together with electronic properties of graphdiyne nanosheet (Gdn-NS) is investigated. The structural stability of Gdn-NS is established with the support of phonon band structure and cohesive ...
V. Nagarajan, R. Chandiramouli
doaj +1 more source
, 2012 We study a versatile structurally favorable periodic $sp^2$-bonded carbon atomic planar sheet with $C_{4v}$ symmetry by means of the first-principles calculations. This carbon allotrope is composed of carbon octagons and squares with two bond lengths and
Cui, Hui-Juan +5 more
core +1 more source
Application of graphdiyne for promote efficient photocatalytic hydrogen evolution
Results in Surfaces and InterfacesThe photocatalytic hydrogen evolution technology converts solar energy into clean and environmentally friendly hydrogen energy, which is considered an effective means to solve environmental pollution and energy crisis. The unique sp and sp2 hybrid carbon
Tian Wang, Zhiliang Jin
doaj +1 more source
Light Isotope Separation through the Compound Membrane of Graphdiyne
Membranes, 2022 The separation of isotopes of one substance is possible within the framework of the quantum mechanical model. The tunneling effect allows atoms and molecules to overcome the potential barrier with a nonzero probability.
Valentina A. Poteryaeva +2 more
doaj +1 more source
A stable path to ferromagnetic hydrogenated graphene growth [PDF]
, 2014 In this paper, we propose a practical way to stabilize half-hydrogenated graphene (graphone). We show that the dipole moments induced by an hexagonal-boron nitride (h-BN) substrate on graphene stabilize the hydrogen atoms on one sublattice of the ...
Abanov, Artem +4 more
core +2 more sources
Novel Two-dimensional Carbon Allotrope with Strong Electronic Anisotropy
, 2013 Two novel two-dimensional carbon allotropes comprised of octagons and pentagons are proposed based on the first-principles calculations. The two carbon allotropes, named OPG-L and OPG-Z, are found to have distinct properties. OPG-L is metallic, while OPG-
Feng, Ji, Jiang, Hua, Su, Cong
core +1 more source
Bioinspired Adaptive Sensors: A Review on Current Developments in Theory and Application
Advanced Materials, EarlyView.This review comprehensively summarizes the recent progress in the design and fabrication of sensory‐adaptation‐inspired devices and highlights their valuable applications in electronic skin, wearable electronics, and machine vision. The existing challenges and future directions are addressed in aspects such as device performance optimization ...
Guodong Gong +12 more
wiley +1 more source
Graphyne: Hexagonal network of carbon with versatile Dirac cones
, 2013 We study alpha, beta, and gamma graphyne, a class of graphene allotropes with carbon triple bonds, using a first-principles density-functional method and tight-binding calculation.
Bog G. Kim +2 more
core +1 more source
A Functional 2D Carbon Allotrope Combining Nanoporous Graphene and Biphenylene Segments
Advanced Materials, EarlyView.The synthesis of a novel nanoporous graphene (NPG) is reported with biphenylene segments via thermal fusion of 12‐armchair porous graphene nanoribbons grown on gold surfaces. Characterization using STM, AFM, and DFT reveals low‐defect semiconducting behaviour and tunable band gaps.
Paula Angulo‐Portugal +14 more
wiley +1 more source