Porous silicene and silicon graphenylene-like surfaces: a DFT study

Theoretical study of porous surfaces derived from graphene and boron nitride

(2018) G.S.L. Fabris et al.   JOURNAL OF SOLID STATE CHEMISTRY

Electronic structure investigation of biphenylene films

(2017) R. Totani et al.   JOURNAL OF CHEMICAL PHYSICS

A new type of two-dimensional carbon crystal prepared from 1,3,5-trihydroxybenzene

(2017) Qi-Shi Du et al.   Scientific Reports

CRYSTAL14: A program for theab initioinvestigation of crystalline solids

(2014) Roberto Dovesi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Germanene: a novel two-dimensional germanium allotrope akin to graphene and silicene

(2014) M E Dávila et al.   NEW JOURNAL OF PHYSICS

Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations

(2014) Lianhua He et al.   PHYSICAL REVIEW B

Hole doped Dirac states in silicene by biaxial tensile strain

(2013) T. P. Kaloni et al.   JOURNAL OF APPLIED PHYSICS

Helium separation via porous silicene based ultimate membrane

(2013) Wei Hu et al.   Nanoscale

Porous silicene as a hydrogen purification membrane

(2013) Wei Hu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tunable band gap in few-layer graphene by surface adsorption

(2013) Ruge Quhe et al.   Scientific Reports

Graphenylene: a promising anode material for lithium-ion batteries with high mobility and storage

(2013) Yang-Xin Yu   Journal of Materials Chemistry A

Nonzero Gap Two-Dimensional Carbon Allotrope from Porous Graphene

(2012) G. Brunetto et al.   Journal of Physical Chemistry C

Evidence of Silicene in Honeycomb Structures of Silicon on Ag(111)

(2012) Baojie Feng et al.   NANO LETTERS

Graphene to fluorographene and fluorographane: a theoretical study

(2012) R Paupitz et al.   NANOTECHNOLOGY

Experimental Evidence for Epitaxial Silicene on Diboride Thin Films

(2012) Antoine Fleurence et al.   PHYSICAL REVIEW LETTERS

Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon

(2012) Patrick Vogt et al.   PHYSICAL REVIEW LETTERS

Graphenylene, a unique two-dimensional carbon network with nondelocalized cyclohexatriene units

(2012) Qi Song et al.   Journal of Materials Chemistry C

Synthesis of Metal-Organic Frameworks (MOFs): Routes to Various MOF Topologies, Morphologies, and Composites

(2011) Norbert Stock et al.   CHEMICAL REVIEWS

Electronic Structures of Porous Graphene, BN, and BC2N Sheets with One- and Two-Hydrogen Passivations from First Principles

(2011) Yi Ding et al.   Journal of Physical Chemistry C

Structural Defects in Graphene

(2010) Florian Banhart et al.   ACS Nano

Hydrogen compounds of group-IV nanosheets

(2010) L. C. Lew Yan Voon et al.   APPLIED PHYSICS LETTERS

Graphene-like silicon nanoribbons on Ag(110): A possible formation of silicene

(2010) Bernard Aufray et al.   APPLIED PHYSICS LETTERS

Epitaxial growth of a silicene sheet

(2010) Boubekeur Lalmi et al.   APPLIED PHYSICS LETTERS

Two-dimensional polyphenylene: experimentally available porous graphene as a hydrogen purification membrane

(2010) Yafei Li et al.   CHEMICAL COMMUNICATIONS

Multifunctional Porous Graphene for Nanoelectronics and Hydrogen Storage: New Properties Revealed by First Principle Calculations

(2010) Aijun Du et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First-principles LCAO study of phonons in NiWO4

(2010) Alexei Kuzmin et al.   Open Physics

Porous graphenes: two-dimensional polymer synthesis with atomic precision

(2009) Marco Bieri et al.   CHEMICAL COMMUNICATIONS

Graphene to graphane: a theoretical study

(2009) M Z S Flores et al.   NANOTECHNOLOGY

Monolayer honeycomb structures of group-IV elements and III-V binary compounds: First-principles calculations

(2009) H. Şahin et al.   PHYSICAL REVIEW B

Uniaxial Strain on Graphene: Raman Spectroscopy Study and Band-Gap Opening

(2008) Zhen Hua Ni et al.   ACS Nano

Coupled perturbed Hartree-Fock for periodic systems: The role of symmetry and related computational aspects

(2008) Mauro Ferrero et al.   JOURNAL OF CHEMICAL PHYSICS

Calculation of first and second static hyperpolarizabilities of one- to three-dimensional periodic compounds. Implementation in the CRYSTAL code.

(2008) Mauro Ferrero et al.   JOURNAL OF CHEMICAL PHYSICS

The calculation of static polarizabilities of 1-3D periodic compounds. the implementation in the crystal code

(2008) Mauro Ferrero et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Doping Graphene with Metal Contacts

(2008) G. Giovannetti et al.   PHYSICAL REVIEW LETTERS