Results 61 to 70 of about 2,766 (188)
Superconductivity of boron-doped graphane under high pressure. [PDF]
RSC Adv, 2019 Under high-pressure, the most stable two configurations of B-doped graphane are phase-α and phase-β, and pressurization can increase their Tc significantly.
Cheng Y +5 more
europepmc +4 more sources
Computing Optical Properties of Ultra-thin Crystals [PDF]
, 2016 An overview is given of recent advances in experimental and theoretical understanding of optical properties of ultra-thin crystal structures (graphene, phosphorene, silicene, MoS2, MoSe2 , WS2 , WSe2 , h-AlN, h-BN, fluorographene, graphane).
Albrecht +129 more
core +2 more sources
Polymer Composites, Volume 46, Issue 16, Page 15313-15330, 10 November 2025.Production process of amine‐modified silica aerogel reinforced aramid/epoxy composite (EAFS). ABSTRACT Due to its high pore size and low density, amine‐modified silica aerogel (XSA) is an excellent candidate for the secondary reinforcement material of polymer matrix composites.
Hasan Yavuz Ünal +4 more
wiley +1 more source
Beilstein Journal of Nanotechnology, 2018 We present a new universal method to accelerate calculations of transmission function and electrical conductance of 2D materials, the supercell of which may contain hundreds or thousands of atoms. The verification of the proposed method is carried out by
Olga E. Glukhova, Dmitriy S. Shmygin
doaj +1 more source
Conformers of hydrogenated SiC honeycomb structure: A first principles study
AIP Advances, 2013 The structural and electronic properties of fully hydrogenated SiC graphane-like nano-structures have been investigated. The objective of this study is to underscore the relative stability of different conformers of hydrogenated SiC sheet.
Seemita Banerjee, Chiranjib Majumder
doaj +1 more source
Informatyka, Automatyka, Pomiary w Gospodarce i Ochronie Środowiska, 2020 We discuss the numerical modeling of electromagnetic, carbon-based periodic structures, including graphene, graphane, graphite, and graphyne. The materials are suitable for sub-micron sensors, electric lines, and other applications, such as those within ...
Miloslav Steinbauer +5 more
doaj +1 more source
Elastic properties of hydrogenated graphene
, 2010 There exist three conformers of hydrogenated graphene, referred to as chair-, boat-, or washboard-graphane. These systems have a perfect two-dimensional periodicity mapped onto the graphene scaffold, but they are characterized by a $sp^3$ orbital ...
Emiliano Cadelano +6 more
core +1 more source
Group-13 and group-15 doping of germanane
Beilstein Journal of Nanotechnology, 2017 Germanane, a hydrogen-terminated graphane analogue of germanium has generated interest as a potential 2D electronic material. However, the incorporation and retention of extrinsic dopant atoms in the lattice, to tune the electronic properties, remains a ...
Nicholas D. Cultrara +6 more
doaj +1 more source
, 2015 Based on first-principles density-functional theory calculations, we present a comparative study of the elec- tronic structures of ultranarrow zigzag graphene nanoribbons (ZGNRs) embedded in hexagonal boron nitride (BN) sheet and fully hydrogenated ...
Cho, Jun-Hyung +4 more
core +1 more source
Energy Storage, Volume 7, Issue 5, August 2025.ABSTRACT Our work investigates the potential of Ca‐decorated Psi‐Graphene for efficient hydrogen storage using first‐principles electronic structure calculations and ab initio molecular dynamics simulations. The system exhibits an exceptional storage capacity of 13.44 wt% by adsorbing up to 82 H2 molecules in a fully Ca loaded Psi‐Graphene unit cell ...
Sruthi Thulaseedharan Jayasree +3 more
wiley +1 more source