Yanyan Chen and Qian Wang.Phonon Transport and Thermoelectric Properties of Imidazole-Graphyne.Materals,14,2021 Dongyuan Ni and Qian Wang.Hex-C558: A new porous metallic carbon allotrope for lithium-ion battery anode.Carbon,183,2021 Wenyang Zhou, Qian Wang and Puru Jena.Imidazole-graphyne: A new 2D carbon nitride with a direct bandgap and strong IR refraction.Phys. Chem. Chem. Phys.,23,2021 Yanyan Chen and Qian Wang.Low lattice thermal conductivity of pentadiamond.Journal of Applied Physics,129,2021 Yiheng Shen and Qian Wang.Pentagonal B2N3-based 3D metallic boron nitride with high energy density.J. Phys.: Condens. Matter,33,2021 Wei Sun and Qian Wang.1,2,4-Azadiphosphole-based Piezoelectric Penta-CNP Sheet with High Spontaneous Polarization.Applied Surface Science,554,2021 Jie Sun and Qian Wang.Low lattice thermal conductivity of a 5-8-peanut-shaped carbon nanotube.Phys. Chem. Chem. Phys.,23,2021 Dongyuan Ni and Qian Wang.A New Porous Metallic Carbon Allotrope with Interlocking Pentagons for Sodium-Ion Battery Anode Material.Adv. Theory Simul.,4,2021 Dongyuan Ni and Qian Wang.Identifying key parameters for predicting materials with low defect generation efficiency by machine learning.Computational Materials Science,191,2021 Xiaoyin Li and Qian Wang.Na-functionalized IrTe2 monolayer: Suppressed charge ordering and electric field tuned topological phase transition.Phys. Rev. B,102,2020