Graphane and hydrogenated graphene
Graphane, the fully hydrogenated analogue of graphene, and its partially hydrogenated
counterparts are attracting increasing attention. We review here its structure and predicted …
counterparts are attracting increasing attention. We review here its structure and predicted …
A review on the recent advancements in graphene-based membranes and their applications as stimuli-responsive separation materials
Graphene possesses a set of unique physicochemical properties including exceptional
mechanical, thermal, and electrical properties, making it an excellent candidate for …
mechanical, thermal, and electrical properties, making it an excellent candidate for …
Chemistry of graphene derivatives: synthesis, applications, and perspectives
The chemistry of graphene and its derivatives is one of the hottest topics of current material
science research. The derivatisation of graphene is based on various approaches, and to …
science research. The derivatisation of graphene is based on various approaches, and to …
Searching for Magnetism in Hydrogenated Graphene: Using Highly Hydrogenated Graphene Prepared via Birch Reduction of Graphite Oxides
AYS Eng, HL Poh, F Sanek, M Marysko, S Matejkova… - Acs Nano, 2013 - ACS Publications
Fully hydrogenated graphene (graphane) and partially hydrogenated graphene materials
are expected to possess various fundamentally different properties from graphene. We have …
are expected to possess various fundamentally different properties from graphene. We have …
Striving Toward Noble-Metal-Free Photocatalytic Water Splitting: The Hydrogenated-Graphene–TiO2 Prototype
Graphane, graphone, and hydrogenated graphene (HG) have been extensively studied in
recent years due to their interesting properties and potential use in commercial and …
recent years due to their interesting properties and potential use in commercial and …
Tinene: a two-dimensional Dirac material with a 72 meV band gap
Dirac materials have attracted great interest for both fundamental research and electronic
devices due to their unique band structures, but the usual near zero bandgap of graphene …
devices due to their unique band structures, but the usual near zero bandgap of graphene …
Theoretical investigation of the titanium—nitrogen heterofullerenes evolved from the smallest fullerene
MM Kadhim, EA Mahmood, V Abbasi… - Journal of Molecular …, 2022 - Elsevier
In this survey, we are performed kinetic stability, global reactivity, atomic polar tensor (APT)
charge and counter plots of Ti–N heterofullerenes developed from C 20 fullerene with the …
charge and counter plots of Ti–N heterofullerenes developed from C 20 fullerene with the …
Dependence of Electronic and Optical Properties of MoS2 Multilayers on the Interlayer Coupling and Van Hove Singularity
JQ Hu, XH Shi, SQ Wu, KM Ho, ZZ Zhu - Nanoscale Research Letters, 2019 - Springer
In this paper, the structural, electronic, and optical properties of MoS 2 multilayers are
investigated by employing the first-principles method. Up to six-layers of MoS 2 have been …
investigated by employing the first-principles method. Up to six-layers of MoS 2 have been …
Structural and electronic properties of group-IV tin nanotubes and their effects on the adsorption of SO2 molecules: insights from DFT computations
A Abbasi, J Jahanbin Sardroodi - Journal of Applied Physics, 2018 - pubs.aip.org
The structural and electronic properties of pristine and SO 2 adsorbed buckled tin nanotubes
were investigated using density functional theory calculations. The effects of SO 2 gas …
were investigated using density functional theory calculations. The effects of SO 2 gas …
Atomistic Study of the Bandgap Engineering of Two-Dimensional Silicon Carbide by Hydrogenation
HT Thu Tran, PM Nguyen, H Van Nguyen… - ACS …, 2023 - ACS Publications
This work studied hydrogen adsorption by a two-dimensional silicon carbide using a
combined molecular dynamics and density functional theory approach. The geometrical …
combined molecular dynamics and density functional theory approach. The geometrical …