Dr. Chun-sheng Liu

Recently, there has been a growing interest in exploring planar hypercoordinate carbons in two-dimensional nanostructures. However, atomic monolayers with ideal planar hypercoordinate carbon are quite rare due to the challenge in stabilizing the exotic motifs. We predicted a global minimum two-dimensional BeC monolayer using the global particle-swarm optimization method. Each carbon binds peripheral four atoms in the same plane, forming a perfectly planar tetracoordinate carbon moiety. The cohesive energy, phonon-spectrum and mechanical stability criteria confirm the stability of monolayer BeC. In addition, the BeC monolayer has a large in-plane stiffness (145.54 N m⁻¹) and thermo-dynamical stability (up to 2000 K). Furthermore, BeC is an indirect semiconductor with a band gap of 1.01 eV and possesses exceptionally high carrier mobilities (∼10⁴ cm² V⁻¹ s⁻¹), rendering it suitable for application in electronics and photoelectronics.

9 September 2018 in The Journal of Physical Chemistry C

Journal Article

Exfoliated Monolayer GeI₂: Theoretical Prediction of a Wide-Band Gap Semiconductor with Tunable Half-Metallic Ferromagnetism

Chun-sheng Liu

Xiao-Le Yang

Jin Liu

Xiao-Juan Ye

7 June 2016 in RSC Advances

Journal Article

Metalized B ₄₀ fullerene as a novel material for storage and optical detection of hydrogen: a first-principles study

Chun-sheng Liu

Xiao-Juan Ye

Xiangfu Wang

Xiaohong Yan

Based on (van der Waals corrected) density functional theory, we show that alkali metal (AM) adsorbed on B ₄₀ can serve as a promising candidate not only for hydrogen storage, but also for hydrogen detection.

About Me

Professor Chun-sheng Liu, Nanjing University of Posts and Telecommunications. 1. Study and work experience: (1) 2013.7: So far, Nanjing University of Posts and Telecommunications, Electronic and Optical Engineering College, professor (2) 2012.1-2013.6: Postdoctoral Fellow, Technical University of Munich, Germany (3) 2013.3-2011.12: Humboldt Scholar, University of Connecticut, USA (4) 2008.3-20111: Institute of Solid State Physics, Chinese Academy of Sciences, Condensed Matter Physics 2.Research field: Main research direction: (1) Two-dimensional wide-gap/ultra-wide-gap semiconductors (2) Electrode material (3) Green energy materials Major scientific research projects undertaken include: (1) National Natural Science Foundation Project, Theoretical Design of Two-dimensional Wide-gap/ultra-wide-gap semiconductor materials: high-throughput screening and global structure search. (2) Key project supported by Jiangsu Distinguished Professor: theoretical design of green energy materials. (3) National Natural Science Foundation of China, First-principles study of carbon nano-assembled hydrogen storage materials based on sp+sp2 hybrid. (4) "Six Talent Peaks" in Jiangsu Province, quantum regulation, and hydrogen storage mechanism exploration of hybrid carbon nanoassembly materials. (5) Jiangsu Provincial Natural Science Foundation Project, Research on Hydrogen Storage Mechanisms of Nanoassembled Materials Based on One-Dimensional Carbon Atom Chains

Dr. Chun-sheng Liu

Dr. Chun-sheng Liu

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