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[会议论文] 作者：Defang Duan,Yanbin Ma,Tian Cui,
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
Hydrogen-rich materials can be metallized at much lower pressures due to "chemical pre-compression" and considered as good candidates for high Tc superconductors....
[会议论文] 作者：Hui Xie,Defang Duan,Tian Cui,
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
We investigate the ZrHn(n=1-6)in a pressure range of 0-300 GPa,using first-principles calculations within density functional theory,showing that the hydrogen content in Zr dramatically increases under...
[期刊论文] 作者：Defang Duan,Yunxian Liu,Yanbin Ma,Ziji Shao,Bingbing Liu,Tian Cui,
来源：国家科学评论（英文版） 年份：2017
Hydrogen atoms can provide high phonon frequencies and strong electron-phonon coupling in hydrogen-rich materials,which are believed to be potential high-temper...
[期刊论文] 作者：Hao Song,Zihan Zhang,Tian Cui,Chris J.Pickard,Vladimir Z.Kresin,Defang Duan,
来源：中国物理快报（英文版） 年份：2021
Sulfur and lanthanum hydrides under compression display superconducting states with high observed critical temperatures.It has been recently demonstrated that carbonaceous sulfur hydride displays room temperature superconductivity.However,t......
[期刊论文] 作者：Mengya Lu,Yanping Huang,Fubo Tian,Da Li,Defang Duan,Qiang Zhou,Tian Cui,
来源：中国物理B（英文版） 年份：2020
Ammonium iodine (NH4I) as an important member of hydrogen-rich compounds has attracted a great deal of attention owing to its interesting structural changes tri...
[期刊论文] 作者：Xuehui Xiao,Kuo Bao,Youchun Wang,Hui Xie,Defang Duan,Fubo Tian,Tian Cui,
来源：中国物理B（英文版） 年份：2019
The variational and diffusion Monte Carlo approaches are used to study the ground-state properties of a hydrogen molecular ion in a spheroidal box. In this work...
[期刊论文] 作者：Ziyue Lin,Hongyu Yu,Hao Song,Zihan Zhang,Tianxiao Liang,Mingyang Du,Defang Duan,
来源：中国物理B（英文版） 年份：2021
Pressure has an important effect on chemical bonds and their chemical properties.The atypical compounds NaCl3 and CsF3 are predicted to be stable at high pressu...
The Pressure Scale Mo firstly determined from in situ synchrotron XRD with laser-heated diamond anvi
[会议论文] 作者：Xiaoli Huang,Fangfei Li,Defang Duan,Kuo Bao,Qiang Zhou,Bingbing Liu,Tian Cui,
来源：第17届中国高压科学学术会议 年份：2014
Molybdenum (Mo) has been widely studied for pressure calibration in high pressure-temperature ranges.[1]There is a temperature gap between the reported resistive heating and shock wave compression mea...
[会议论文] 作者：Da Li,Fubo Tian,YunZhou Lv,Shuli Wei,Defang Duan,Bingbing Liu,Tian Cui,
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
A systematic computational study on the structural,electronic,and bonding properties of binary sulfur nitrides has been performed using the projector augmented wave method based on density functional...
[期刊论文] 作者：Youchun Wang,Fubo Tian,Da Li,Defang Duan,Hui Xie,Bingbing Liu,Qiang Zhou,a Tian Cui,
来源：中国物理B（英文版） 年份：2019
First-principles evolutionary calculation was performed to search for all probable stable Ga–Te compounds at extreme pressure. In addition to the well-known st...
[会议论文] 作者：Xiaoli Huang,Defang Duan,Fangfei Li,Shuqing Jiang,Wenbo Li,Xilian Jin,Qiang Zhou,Tian Cui,
来源：第十六届中国高压科学学术会议 年份：2012
...
[会议论文] 作者：Xiaoli Huang,Defang Duan,Yanping Huang,Lu Wang,Kuo Bao,Qiang Zhou,Bingbing Liu,Tian Cui,
来源：第十三次全国物理力学大会 年份：2014
The important transition metal dihydride ZrH2 has been characterized using in situ synchrotron X-ray diffraction combined with diamond anvil cell techniques and...
[期刊论文] 作者：Yanling Zhang,Xiaozhu Hao,Yanping Huang,Fubo Tian,Da Li,Youchun Wang,Hao Song,Defang Duan,
来源：中国物理快报（英文版） 年份：2021
We conduct extensive research into the structures of BexZn1?xO ternary alloys in a pressure range of 0-60 GPa, using the ab initio total energy evolutionary alg...
[期刊论文] 作者：Hongyu Yu,Nan Gao,Hongdong Li,Xuri Huang,Defang Duan,Kuo Bao,Mingfeng Zhu,Bingbing Liu,Tian Cui,
来源：中国物理B（英文版） 年份：2019
Based on ab initio calculations,it is found that the donor center of substitutional sulfur (S) in diamond with C2v symmetry is more stable than that with C3v sy...
[会议论文] 作者：Yunxian Liu,Tian Cui,Defang Duan,Fubo Tian,Zhonglong Zhao,Jing Fan,Songkuan Zheng,Xiaojing Sha,Huadi,
来源：第十二届国际凝聚态理论与计算材料学会议(The 12th International Conference on Con 年份：2013
Recently,people have emphasized on closed shell systems(e.g.CH41,H202-4,Ar5)that have been found to form a number of new intriguing molecular compounds with...
[会议论文] 作者：Yanping Huang,Xiaoli Huang,Zhonglong Zhao,Wenbo Li,Shuqing Jiang,Defang Duan,Kuo Bao,Qiang Zhou,Bingbing,
来源：第十八届全国光散射学术会议 年份：2015
...
[会议论文] 作者：Yunxian Liu,Tian Cui,Defang Duan,Fubo Tian,Zhonglong Zhao,Jing Fan,Songkuan Zheng,Xiaojing Sha,Huadi,
来源：第十二届国际凝聚态理论与计算材料学会议(The 12th International Conference on Con 年份：2013
Recently,people have emphasized on closed shell systems(e.g.CH41,H202-4,Ar5)that have been found to form a number of new intriguing molecular compounds with...
[会议论文] 作者：Yanping Huang,Xiaoli Huang,Zhonglong Zhao,Wenbo Li,Shuqing Jiang,Defang Duan,Kuo Bao,Qiang Zhou,Bingbing,
来源：第十八届全国光散射学术会议 年份：2015
In recent years, there has been a vast and growing interest in light hydrides due to their potential use as hydrogen storage materials.As a promising candidate...
[会议论文] 作者：Xiaoli Huang,Defang Duan,Xin Li,Fangfei Li,Yanping Huang,Gang Wu,Yunxian Liu,Qiang Zhou,Bingbing Liu,,
来源：第十八届全国光散射学术会议 年份：2015
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[会议论文] 作者：Ziji Shao,Defang Duan,Yanbin Ma,Hongyu Yu,Hui Xie,Hao Song,Fubo Tian,Da Li,Bingbing Liu,Tian Cui,
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
High pressure can efficiently reduce the barrier of a chemical reaction which hardly occurs at atmospheric pressure and induces the formation of a compound with unforeseen properties....
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