Publications (6)
Novel boron nitride polymorphs with graphite-diamond hybrid structure
Kun Luo, Baozhong Li, Lei Sun +7
Both boron nitride (BN) and carbon (C) have sp, sp2 and sp3 hybridization modes, and thus resulting in a variety of BN and C polymorphs with similar structures, such as hexagonal B…
Discovery of carbon-based strongest and hardest amorphous material
Shuangshuang Zhang, Zihe Li, Kun Luo +22
Carbon is likely the most fascinating element of the periodic table because of the diversity of its allotropes stemming from its variable (sp, sp2, and sp3) bonding motifs. Explora…
Superhard and Superconducting B6C
Kang Xia, Mengdong Ma, Cong Liu +7
Crystal structure searching and ab initio calculations have been used here to explore low-energy structures of boron carbides under high pressure. Under pressures of 85-110 GPa, a…
Coexistence of multiple metastable polytypes in rhombohedral bismuth
Yu Shu, Wentao Hu, Zhongyuan Liu +7
Derivative structural polytypes coexisting with the rhombohedral A7 structure of elemental bismuth (Bi) have been discovered at ambient condition, based on microstructure analyses…
Narrow-gap Semiconducting Superhard Amorphous Carbon with Superior Toughness
Shuangshuang Zhang, Yingju Wu, Kun Luo +18
New carbon forms exhibiting extraordinary physico-chemical properties can be generated from nanostructured precursors under extreme pressure. Nevertheless, synthesis of such fascin…
Universal phase transitions of B1 structured stoichiometric transition-metal carbides
Zhisheng Zhao, Xiang-Feng Zhou, Li-Min Wang +5
The high-pressure phase transitions of B1-structured stoichiometric transition metal carbides (TMCs, TM=Ti, Zr, Hf, V, Nb, and Ta) were systematically investigated using ab initio…