activity
20072017
most citedAdsorption of H2O, NH3, CO, NO2, and NO on graphene: A first-principles study

1.7k citations · 2.9k across the 12 of their papers we have counts for

collaborators

12 papers

cond-mat.mtrl-sci2017★ 49 cited

Quantum anomalous Hall effect in stable 1T-YN monolayer with a large nontrivial band gap and high Chern number

Xiangru Kong, Linyang Li, Ortwin Leenaerts +3

The quantum anomalous Hall (QAH) effect is a topologically nontrivial phase, characterized by a non-zero Chern number defined in the bulk and chiral edge states in the boundary. Us…

cond-mat.mtrl-sci2017★ 21 cited

New Group V Elemental Bilayers: A Tunable Structure Model with 4,6,8-atom Rings

Xiangru Kong, Linyang Li, Ortwin Leenaerts +2

Two-dimensional (2D) group V elemental materials have attracted widespread attention due to their nonzero band gap while displaying high electron mobility. Using first-principles c…

cond-mat.mtrl-sci2016

Carbon-Rich Carbon Nitride Monolayers with Dirac Cones: Dumbbell C4N

Linyang Li, Xiangru Kong, Ortwin Leenaerts +3

Two-dimensional (2D) carbon nitride materials play an important role in energy-harvesting, energy-storage and environmental applications. Recently, a new carbon nitride, 2D polyani…

cond-mat.mtrl-sci2016★ 20 cited

Gallium Bismuth Halides GaBi-X2 (X= I, Br, Cl) Monolayers with Distorted Hexagonal Framework: Novel Room-Temperature Quantum Spin Hall Insulators

Linyang Li, Ortwin Leenaerts, Xiangru Kong +3

Quantum Spin Hall (QSH) insulators with a large topologically nontrivial bulk gap are crucial for future applications of the QSH effect. Among these, group III-V monolayers and the…

cond-mat.mtrl-sci2015★ 9 cited

GraphAne: From Synthesis to Applications

H. Sahin, O. Leenaerts, S. K. Singh +1

Atomically thin crystals have recently been the focus of attention in particular after the synthesis of graphene, a monolayer hexagonal crystal structure of carbon. In this novel m…

cond-mat.mtrl-sci2013★ 6 cited

Adsorption of titanium and titanium dioxide on graphene: n and p-type doping

Jozef Sivek, Ortwin Leenaerts, Bart Partoens +1

Ab initio calculations within the density-functional theory formalism are performed to investigate the ground state, electric charge doping, and electronic properties of titanium a…