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The most energetically competitive phase in the diamond-like BCx compounds:a novel superhard superco
[会议论文] 作者：Mengdong Ma,Guoying Gao,Zhisheng Zhao,Julong He,
来源：第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna 年份：2017
Recently,BC5,BC4,BC3 were continually reported to be synthesized from graphitic BC5,BC4 and BC3 by the high-temperature and high-pressure method respectively....
[会议论文] 作者：Ying Ma,Mengdong Ma,Zhisheng Zhao,Julong He,
来源：第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna 年份：2017
Carbon presented many different attractive frameworks on account of the mixture of sp,sp2-,and sp3-hybridization....
[期刊论文] 作者：Shuangshuang Zhang,Julong He,Zhisheng Zhao,Dongli Yu,Yongjun Tian,
来源：中国物理B（英文版） 年份：2019
The study of superhard materials plays a critical role in mode industrial applications due to their widespread applications as cutting tools,abrasives,exploitat...
[会议论文] 作者：Qianqian Wang,Qian Zhang,Meng Hu,Mengdong Ma,Bo Xu,Julong He,
来源：第八届国际分子模拟与信息技术应用学术会议 年份：2016
An oP10–FeB4 phase [H.Gou,et al.,Phys.Rev.Lett.,2013,111,157002] was recently synthesized based on previous theoretical predictions.In this study,a high-pr...
[会议论文] 作者：Meng Hu,Quan Huang,Zhisheng Zhao,Bo Xu,Dongli Yu,Julong He,
来源：第八届国际分子模拟与信息技术应用学术会议 年份：2016
Two sp+sp3-hybridized yne-diamond(YD)allotropes are designed by employing first-principle calculations.The YDs are constructed by replacing half carbon sing...
[会议论文] 作者：Chao Liu,Zhisheng Zhao,Kun Luo,Meng Hu,Mengdong Ma,Julong He,
来源：第八届国际分子模拟与信息技术应用学术会议 年份：2016
A lonsdaleite-like orthorhombic structure B2CO(oP8-B2CO)with strong sp3 covalent B‐C andB‐O bonds has been predicted theoretically by using the crystal st...
[会议论文] 作者：Chao Liu,Meng Hu,Kun Luo,Dongli Yu,Zhisheng Zhao,Julong He,
来源：第八届国际分子模拟与信息技术应用学术会议 年份：2016
By utilizing a crystal structure prediction software via particle swarm optimization,this study proposes three new high-pressure phases of aluminum phosphid...
[会议论文] 作者：Meng Hu,Yu Shu,Lin Cui,Bo Xu,Dongli Yu,Julong He,
来源：第八届国际分子模拟与信息技术应用学术会议 年份：2016
A two-dimensional carbon allotrope,H-net,is proposed using first principle calculations.H-net incorporates C4 distorted squares,C6 hexagons,and C8 octagons....
[会议论文] 作者：Penghui Li,Chao Liu,Mengdong Ma,Yilong Pan,Zhisheng Zhao,Julong He,
来源：第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna 年份：2017
SiGe is commonly used as a semiconductor material with excellent electronic and optical properties.SiGe alloy is also a kind of excellent high temperature thermoelectric materials....
[会议论文] 作者：Yingju Wu,Yufei Gao,Mengdong Ma,Zhisheng Zhao,Julong He,Dongli YU,
来源：第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna 年份：2017
Two-dimensional conductive superhard BC2N phases,including o-BC2N,are investigated by firstprincipals calculations....
[会议论文] 作者：Kun Luo,Dongli Yu,Zhisheng Zhao,Bo Xu,Zhongyuan Liu,Julong He,
来源：第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna 年份：2017
Nanotwinned cubic boron nitride(nt-cBN)was successfully synthesized in a multianvil high-pressure apparatus at high temperatures by using the precursors of onion-like BN(oBN)....
[会议论文] 作者：Mei Xiong,Yilong Pan,YuFei Gao,Dongli Yu,Julong He,Zhisheng ZHao,
来源：第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna 年份：2017
Boron Nitride(BN)is isoelectronic to carbon.Carbon can be semiconductor or insulator depending on its structures,and the conductive can be one-dimensional(1D),two-dimensional(2D)and three-dimensional(...
[会议论文] 作者：Chao Liu,Meng Hu,Kun Luo,Lin Cui,Dongli Yu,Zhisheng Zhao,Julong He,
来源：第八届国际分子模拟与信息技术应用学术会议 年份：2016
Four novel AlN phases with low density and high hardness are predicted by using a evolutionary methodology on structural search.All four phases are thermody...
[会议论文] 作者：Kang Xia,Mengdong Ma,Juefei Wu,Hao Gao,Julong He,Yongjun Tian,Jian Sun,
来源：第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna 年份：2017
Crystal structure searching and first-principles calculations have been used to explore low-energy structures of boron carbides under high pressure....
[会议论文] 作者：Mengdong Ma,Bingchao Yang,Zihe Li,Meng Hu,Qianqian Wang,Lin Cui,Dongli Yu,Julong He,
来源：第八届国际分子模拟与信息技术应用学术会议 年份：2016
A monoclinic BC3 phase(denoted M-BC3)has been predicted using first principles calculations.The M-BC3 structure is formed by alternately stacking sequences...
[会议论文] 作者：Lingyu Liu,Meng Hu,Yilong Pan,Zihe Li,Julong He,Dongli Yu,Yongjun Tian,Zhisheng Zhao,
来源：第26届国际高压科学技术大会、第8届亚洲高压科技学术会议暨第19届中国高压科学技术会议(The 26th Interna 年份：2017
Graphdiyne is composed of acetylenic linkages and carbon hexagons.Large graphdiyne films have been synthesized via a cross-coupling reaction using hexaethynylbenzene by Li et al....
[会议论文] 作者：Mei Xiong,Changzeng Fan,Zhisheng Zhao,Qianqian Wang,Julong He,Dongli Yu,Zhongyuan Liu,Bo Xu,Yongjun Tian,
来源：第八届国际分子模拟与信息技术应用学术会议 年份：2016
Phase transitions of single-walled boron nitride nanotube bundles under high pressure were investigated.Multiple three-dimensional boron nitride allotropes...
[会议论文] 作者：Qian Zhang,Xiaohui Li,Yulong Kang,Long Zhang,Dongli Yu,Julong He,Zhongyuan Liu,Yongjun Tian,Bo Xu,
来源：第八届国际分子模拟与信息技术应用学术会议 年份：2016
Te-doped CoSb3 skutterudites were successfully synthesized with high pressure synthesis method followed by spark plasma sintering.The introducing of Te atom...
[会议论文] 作者：Zihe Li,Meng Hu,Mengdong Ma,Yufei Gao,Bo Xu,Julong He,Dongli Yu,Yongjun Tian,Zhisheng Zhao,
来源：第八届国际分子模拟与信息技术应用学术会议 年份：2016
Carbon clathrate is a kind of typical carbon allotrope that has an open framework composed of various types of cages,displaying intriguing electronic and me...
[会议论文] 作者：Yilong Pan,Meng Hu,Mengdong Ma,Zihe Li,Yufei Gao,Mei Xiong,Guoying Gao,Zhisheng Zhao,Yongjun Tian,Julong He,
来源：中国晶体学会第六届学术年会暨会员代表大会 年份：2016
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