Triphenylene and tetracene based porous sheet: Stability and electronic properties
- 1 April 2020
- journal article
- research article
- Published by Elsevier BV in Computational Materials Science
Abstract
No abstract availableKeywords
Funding Information
- National Natural Science Foundation of China (21773003, 21973001)
- Tohoku University
- Hitachi (SR16000)
This publication has 52 references indexed in Scilit:
- Halogenated Graphenes: Rapidly Growing Family of Graphene DerivativesACS Nano, 2013
- Deciphering Chemical Bonding in a BC3 Honeycomb Epitaxial SheetThe Journal of Physical Chemistry C, 2012
- Graphene Fluoride: A Stable Stoichiometric Graphene Derivative and its Chemical Conversion to GrapheneSmall, 2010
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-PuThe Journal of Chemical Physics, 2010
- From ultrasoft pseudopotentials to the projector augmented-wave methodPhysical Review B, 1999
- Generalized Gradient Approximation Made SimplePhysical Review Letters, 1996
- Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis setPhysical Review B, 1996
- Projector augmented-wave methodPhysical Review B, 1994
- Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculationsThe Journal of Physical Chemistry, 1993
- "Special points for Brillouin-zone integrations"—a replyPhysical Review B, 1977