4 citations · 4 across the 2 of their papers we have counts for
6 papers
Ground state configuration of hydrogenated Biphenylene sheet: structure, stabilities, electronic and mechanical properties from first-principles calculations
YuJie Liao, XiZhi Shi, Tao Ouyang +5
Based on first-principles calculations, the ground state configuration (Cmma-CH) of hydrogenated Biphenylene sheet (Science, 372, 852, 2021) is carefully identified from hundreds o…
New structure canditates for the experimentally synthesized heptazine-based and triazine-based two dimensional graphitic carbon nitride
Luneng zhao, Xizhi Shi, Jin Li +5
The widely used crystal structures for both heptazine-based and triazine-based two-dimensional (2D) graphitic carbon nitride (g-CN) are the flat P-6m2 configurations. Howev…
Theoretical prediction of a low-energy Stone-Wales graphene with intrinsic type-III Dirac-cone
Zhenghao Gong, XiZhi Shi, Jin Li +6
Based on first-principles method we predict a new low-energy Stone-Wales graphene SW40, which has an orthorhombic lattice with Pbam symmetry and 40 carbon atoms in its crystalline…
Stone-Wales graphene: A Two Dimensional Carbon Semi-Metal with Magic Stability
HengChuang Yin, Xizhi Shi, Chaoyu He +7
A two-dimensional carbon allotrope, Stone-Wales graphene, is identified in stochastic group and graph constrained searches and systematically investigated by first-principles calcu…
Complex low energy tetrahedral polymorphs of group IV elements from first-principles
Chaoyu He, Xizhi Shi, S. J. Clark +6
The energy landscape of carbon is exceedingly complex, hosting diverse and important metastable phases, including diamond, fullerenes, nanotubes and graphene. Searching for structu…
New Boys and Girls in Phosphorene Family from Gene Recombination: Different from Parents, Excellent than Parents
Chaoyu He, Chunxiao Zhang, Tao Ouyang +2
Based on the crystal structures of the previously proposed low energy phosphorene allotropes η-P and θ-P (Nano. Lett. 2015, 15, 3557), we propose five new structural stable phospho…