Showing 1–20 of 31 results
/ Date/ Name
Jan 29, 2020Theoretical prediction of a low-energy Stone-Wales graphene with intrinsic type-III Dirac-coneFeb 17, 2020New structure canditates for the experimentally synthesized heptazine-based and triazine-based two dimensional graphitic carbon nitrideFeb 26, 2013Systematic enumeration of crystalline networks with only sp2 configuration in cubic latticesMay 15, 2015Nano-Stitching of Graphene Bilayers: A First-Principles StudyAug 11, 2022Flat-band based ferromagnetic semiconducting state in the graphitic C$_4$N$_3$ monolayerMar 16, 2025First-principles predictions of the diversity in atomic structures and electronic properties of the reconstructed Si(111)-7x7 surfaceMar 5, 2026Domain-Direct Band Gaps: Classification and Material RealizationJul 3, 2021Ground state configuration of hydrogenated Biphenylene sheet: structure, stabilities, electronic and mechanical properties from first-principles calculationsDec 7, 2014Simple Cubic Carbon Phase C21-sc: A Promising Superhard Carbon ConductorJan 24, 2025Natural and Intrinsic Vacancies in two-dimensional g-C$_3$N$_4$ for Trapping Isolated B and C Atoms as Color CentersJun 10, 2015Direct and quasi-direct band gap silicon allotropes with remarkable stabilityNov 28, 2013Pseudo-crystals of the group 14 elements with both 5-fold central rotation symmetry and divisional translation symmetryJan 9, 2019Stone-Wales graphene: A Two Dimensional Carbon Semi-Metal with Magic StabilityJan 18, 2017New allotropes of phosphorene with remarkable stability and intrinsic piezoelectricityOct 11, 2018Complex low energy tetrahedral polymorphs of group IV elements from first-principlesJul 20, 2023Vertical Ferroelectricity in Van der Waals Materials: Models and DevicesFeb 22, 2022I4/mcm-Si$_{48}$: An Ideal Topological Nodal-Line SemimetalFeb 26, 2013Structures, stability, mechanical and electronic properties of a-boron and its twined brother a*-boronOct 2, 2024Isolated zero-energy flat-bands and intrinsic magnetism in carbon monolayersFeb 18, 2016New Boys and Girls in Phosphorene Family from Gene Recombination: Different from Parents, Excellent than Parents