344 citations · 918 across the 5 of their papers we have counts for
5 papers
Graphene Nucleation on Transition Metal Surface: Structure Transformation and Role of the Metal Step Edge
Junfeng Gao, Joanne Yip, Jijun Zhao +2
The nucleation of graphene on a transition metal (TM) surface, either on a terrace or near a step edge, is systematically explored using density functional theory (DFT) calculation…
The influence of size effect on the electronic and elastic properties of diamond films with nanometer thickness
Leonid A. Chernozatonskii, Pavel B. Sorokin, Alexander A. Kuzubov +5
The atomic structure and physical properties of few-layered <111> oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides are studied using electronic b…
Patterning Nanoroads and Quantum Dots on Fluorinated Graphene
Morgana A. Ribas, Abhishek K. Singh, Pavel B. Sorokin +1
Using ab initio methods we have investigated the fluorination of graphene and find that different stoichiometric phases can be formed without a nucleation barrier, with the complet…
BN white graphene with `colorful' edges--the energies and morphology
Yuanyue Liu, Somnath Bhowmick, Boris I. Yakobson
Interfaces play a key role in low dimensional materials like graphene or its boron nitrogen analog, white graphene. The edge energy of h-BN has not been reported as its lower symme…
Stability of hydrogenated group-IV nanostructures: magic structures of diamond nanocrystals and Silicon quantum dots
Xiaobao Yang, Hu Xu, Yu-Jun Zhao +1
We have developed an effective model to investigate the energetic stability of hydrogenated group-IV nanostructures, followed by validations from first-principles calculations. It…