Bonding-restricted structure search for novel 2D materials with dispersed C2 dimers

TiC2: a new two-dimensional sheet beyond MXenes

(2016) Tianshan Zhao et al.   Nanoscale

Structure Prediction of Atoms Adsorbed on Two-Dimensional Layer Materials: Method and Applications

(2015) Bo Gao et al.   Journal of Physical Chemistry C

σ–π-Band Inversion in a Novel Two-Dimensional Material

(2015) Alejandro Lopez-Bezanilla et al.   Journal of Physical Chemistry C

Origin of Dirac Cones in SiC Silagraphene: A Combined Density Functional and Tight-Binding Study

(2015) Xuming Qin et al.   Journal of Physical Chemistry Letters

A new C=C embedded porphyrin sheet with superior oxygen reduction performance

(2015) Yawei Li et al.   Nano Research

Carbon Dimers as the Dominant Feeding Species in Epitaxial Growth and Morphological Phase Transition of Graphene on Different Cu Substrates

(2015) Ping Wu et al.   PHYSICAL REVIEW LETTERS

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Muse: Multi-algorithm collaborative crystal structure prediction

(2014) Zhong-Li Liu   COMPUTER PHYSICS COMMUNICATIONS

Perspective: Crystal structure prediction at high pressures

(2014) Yanchao Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Predicting polymeric crystal structures by evolutionary algorithms

(2014) Qiang Zhu et al.   JOURNAL OF CHEMICAL PHYSICS

Why nanotubes grow chiral

(2014) Vasilii I. Artyukhov et al.   Nature Communications

25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials

(2013) Michael Naguib et al.   ADVANCED MATERIALS

One Molecule, Two Atoms, Three Views, Four Bonds?

(2013) Sason Shaik et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

An adaptive genetic algorithm for crystal structure prediction

(2013) S Q Wu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Two-Dimensional Transition Metal Carbides

(2012) Michael Naguib et al.   ACS Nano

Side-dependent electron escape from graphene- and graphane-like SiC layers

(2012) Paola Gori et al.   APPLIED PHYSICS LETTERS

CALYPSO: A method for crystal structure prediction

(2012) Yanchao Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

The Role of Stable and Mobile Carbon Adspecies in Copper-Promoted Graphene Growth

(2012) S. Riikonen et al.   Journal of Physical Chemistry C

Two-Dimensional Tetragonal TiC Monolayer Sheet and Nanoribbons

(2012) Zhuhua Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quadruple bonding in C2 and analogous eight-valence electron species

(2012) Sason Shaik et al.   Nature Chemistry

Metal-substituted Ti8C12 metallocarbohedrynes: toward less reactive clusters as building blocks of cluster-assembled materials

(2012) Cüneyt Berkdemir et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Two-Dimensional Nanocrystals: Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2 (Adv. Mater. 37/2011)

(2011) Michael Naguib et al.   ADVANCED MATERIALS

Predicting Two-Dimensional Boron–Carbon Compounds by the Global Optimization Method

(2011) Xinyu Luo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Deciphering the mystery of hexagon holes in an all-boron graphene α-sheet

(2011) Timur R. Galeev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The Mechanism of Single-Walled Carbon Nanotube Growth and Chirality Selection Induced by Carbon Atom and Dimer Addition

(2010) Qiang Wang et al.   ACS Nano

Homoleptic transition metal acetylides

(2010) Roy Buschbeck et al.   COORDINATION CHEMISTRY REVIEWS

SiC2Silagraphene and Its One-Dimensional Derivatives: Where Planar Tetracoordinate Silicon Happens

(2010) Yafei Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tight-binding model for the electronic structures of SiC and BN nanoribbons

(2010) Kun Zhao et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Crystal structure prediction via particle-swarm optimization

(2010) Yanchao Wang et al.   PHYSICAL REVIEW B

First-principles study of defects and adatoms in silicon carbide honeycomb structures

(2010) E. Bekaroglu et al.   PHYSICAL REVIEW B

B2C Graphene, Nanotubes, and Nanoribbons

(2009) Xiaojun Wu et al.   NANO LETTERS

The influence of C2 dimers on the stability of TimCn metcar clusters

(2008) Jan-Ole Joswig et al.   JOURNAL OF CHEMICAL PHYSICS

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B