• Publications
  • Influence
Low-temperature growth of graphene by chemical vapor deposition using solid and liquid carbon sources.
A revised CVD route to grow graphene on Cu foils at low temperature, adopting solid and liquid hydrocarbon feedstocks, and the successful low-temperature growth can be qualitatively understood from the first principles calculations.
Partially oxidized atomic cobalt layers for carbon dioxide electroreduction to liquid fuel
Electroreduction of CO2 into useful fuels, especially if driven by renewable energy, represents a potentially ‘clean’ strategy for replacing fossil feedstocks and dealing with increasing CO2
Defects in Phosphorene
Defects are inevitably present in materials and always can affect their properties. Here we perform first-principles calculations to systematically investigate the stability and electronic structures
First-Principles Thermodynamics of Graphene Growth on Cu Surfaces
Chemical vapor deposition (CVD) is an important method to synthesis graphene on a substrate. Recently, Cu became the most popular CVD substrate for graphene growth. Here, we combine electronic
Graphene Nanoribbons: Geometric, Electronic, and Magnetic Properties
Graphene nanoribbons (GNRs) have one-dimensional structures with hexagonal twodimensional carbon lattices, which are stripes of graphene. Their structures and their electronic and magnetic properties
Metallic few-layered VS2 ultrathin nanosheets: high two-dimensional conductivity for in-plane supercapacitors.
  • Jun Feng, Xu Sun, Yi Xie
  • Materials Science
    Journal of the American Chemical Society
  • 14 October 2011
A unique ammonia-assisted strategy to exfoliate bulk vanadium disulfide flakes into ultrathin VS(2) nanosheets stacked with less than five S-V-S single layers is developed, representing a brand new two-dimensional material having metallic behavior aside from graphene.
Dynamic oxygen adsorption on single-atomic Ruthenium catalyst with high performance for acidic oxygen evolution reaction
An atomically dispersed Ru1-N4 site anchored on nitrogen-carbon support (Ru-N-C) is reported as an efficient and durable electrocatalyst for acidic OER.
How graphene is cut upon oxidation?
First principles calculations reveal that an oxidative cut of graphene is realized by forming epoxy and then carbonyl pairs, and the proposed epoxy pairs may be related to some long puzzling experimental observations on graphene oxide.
Intrinsic Electric Fields in Two-dimensional Materials Boost the Solar-to-Hydrogen Efficiency for Photocatalytic Water Splitting.
All the nine members of 2D M2X3 are verified to be available photocatalysts for overall water splitting and In2Te3 is manifested to be an infrared-light driven photocatalyst, and its solar-to-hydrogen efficiency limit reaches up to 32.1%, which breaks the conventional theoretical efficiency limit.
Controlling the Kondo Effect of an Adsorbed Magnetic Ion Through Its Chemical Bonding
It is reported that the Kondo effect exerted by a magnetic ion depends on its chemical environment and is attributed to the small on-site Coulomb repulsion and the large half-width of the hybridized d-level.