[HTML][HTML] Functionalization of graphene: covalent and non-covalent approaches, derivatives and applications
Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and
Applications | Chemical Reviews ACS ACS Publications C&EN CAS Find my institution Log …
Applications | Chemical Reviews ACS ACS Publications C&EN CAS Find my institution Log …
Graphene-related nanomaterials: tuning properties by functionalization
In this review, we discuss the most recent progress on graphene-related nanomaterials,
including doped graphene and derived graphene nanoribbons, graphene oxide, graphane …
including doped graphene and derived graphene nanoribbons, graphene oxide, graphane …
Many-body perturbation theory calculations using the yambo code
Abstract yambo is an open source project aimed at studying excited state properties of
condensed matter systems from first principles using many-body methods. As input, yambo …
condensed matter systems from first principles using many-body methods. As input, yambo …
Effects of confinement and environment on the electronic structure and exciton binding energy of MoS from first principles
Using GW first-principles calculations for few-layer and bulk MoS 2, we study the effects of
quantum confinement on the electronic structure of this layered material. By solving the …
quantum confinement on the electronic structure of this layered material. By solving the …
Dielectric screening in two-dimensional insulators: Implications for excitonic and impurity states in graphane
For atomic thin layer insulating materials we provide an exact analytic form of the two-
dimensional (2D) screened potential. In contrast to three-dimensional systems where the …
dimensional (2D) screened potential. In contrast to three-dimensional systems where the …
The Bethe–Salpeter equation formalism: From physics to chemistry
The Bethe–Salpeter equation (BSE) formalism is steadily asserting itself as a new efficient
and accurate tool in the ensemble of computational methods available to chemists in order …
and accurate tool in the ensemble of computational methods available to chemists in order …
Many-body effect, carrier mobility, and device performance of hexagonal arsenene and antimonene
Two-dimensional (2D) semiconductors are very promising channel materials in next-
generation field effect transistors (FETs) due to the enhanced gate electrostatics and smooth …
generation field effect transistors (FETs) due to the enhanced gate electrostatics and smooth …
Dependence of elastic and optical properties on surface terminated groups in two-dimensional MXene monolayers: a first-principles study
Density functional theory is used to investigate the elastic and optical properties as well as
the crystal and electronic structures of two-dimensional Ti2CT2 and Ti3C2T2 (T= F, O, and …
the crystal and electronic structures of two-dimensional Ti2CT2 and Ti3C2T2 (T= F, O, and …
Graphene derivatives: graphane, fluorographene, graphene oxide, graphyne and graphdiyne
M Inagaki, F Kang - Journal of Materials Chemistry A, 2014 - pubs.rsc.org
New carbon materials have recently been derived from graphene theoretically and
experimentally, hydrogenated graphene (graphane), fluorinated graphene (fluorographene) …
experimentally, hydrogenated graphene (graphane), fluorinated graphene (fluorographene) …
Calculating excitons, plasmons, and quasiparticles in 2D materials and van der Waals heterostructures
KS Thygesen - 2D Materials, 2017 - iopscience.iop.org
Atomically thin two-dimensional (2D) materials host a rich set of electronic states that differ
substantially from those of their bulk counterparts due to quantum confinement and …
substantially from those of their bulk counterparts due to quantum confinement and …