Results 21 to 30 of about 10,077,982 (396)

Crystal structure of bis(N-ethylpyridinium) bis(2-thioxo-1,3-dithiole- 4,5-dithiolato)mercurate(II), (C7H10N)2[Hg(C3S5)2]

Zeitschrift für Kristallographie - New Crystal Structures, 2006
C20H20HgN2S10, monoclinic, C12/m1 (no. 12), a = 20.286(4) Å, b = 14.598(3) Å, c = 10.007(2) Å, β = 104.964(3)°, V = 2862.8 Å3, Z = 4, Rgt(F) = 0.034, wRref(F2) = 0.091, T = 293 K.
Wang Y.-L., Yu W.-T., Xu D., Wang X.-Q., Guo W.-F., Zhang G.-H.   +5 more
doaj   +1 more source

Preparation of NbAs Single Crystal by the Seed Growth Process

Crystals, 2022
A Weyl semimetal is a novel crystal with low-energy electronic excitations that behave as Weyl fermions. It has received worldwide interest and was believed to have introduced the next era of condensed matter physics after graphene and three-dimensional ...
Yinchang Sun, Bojin Zhao, Zongju Huo, Hongjun Liu, Yongkuan Xu, Zhanggui Hu, Hailong Qiu   +6 more
doaj   +1 more source

REFMAC5 for the refinement of macromolecular crystal structures

Acta Crystallographica Section D: Biological Crystallography, 2011
The general principles behind the macromolecular crystal structure refinement program REFMAC5 are described.
G. Murshudov, P. Skubák, Andrey A. Lebedev, N. Pannu, Roberto A. Steiner, R. Nicholls, Martyn D. Winn, Fei Long, A. Vagin   +8 more
semanticscholar   +1 more source

Progress on deuterated potassium dihydrogen phosphate (DKDP) crystals for high power laser system application

Light: Science & Applications, 2022
Large-aperture high-quality DKDP crystal with deuteration level of 70% has been successfully grown, which can fabricate the large single-crystal optics with the size exceeding 400 mm for ICF application.
Mingxia Xu, Baoan Liu, Lisong Zhang, Hongkai Ren, Qingtian Gu, Xun Sun, Shenglai Wang, Xinguang Xu   +7 more
doaj   +1 more source

Improving the Luminescence Performance of Monolayer MoS₂ by Doping Multiple Metal Elements with CVT Method

Nanomaterials, 2023
Two-dimensional (2D) transition metal dichalcogenides (TMDCs) draw much attention as critical semiconductor materials for 2D, optoelectronic, and spin electronic devices.
Bojin Zhao, Zongju Huo, Lujie Li, Hongjun Liu, Zhanggui Hu, Yicheng Wu, Hailong Qiu   +6 more
doaj   +1 more source

crystal-torture: A crystal tortuosity module [PDF]

Journal of Open Source Software, 2019
crystal-torture is a Python, Fortran, and OpenMP module for the analysis of diffusion networks in crystal structures. Ionic diffusion through crystalline solids depends not only on the dynamics of ions within the crystal, but also the connectivity of the transport network.Understanding how the connectivity of diffusion pathways in crystal structures is
Conn O'Rourke, Benjamin Morgan
openaire   +3 more sources

Density Functional Theory Study of the Point Defects on KDP (100) and (101) Surfaces

Molecules, 2022
Surface defects are usually associated with the formation of other forms of expansion defects in crystals, which have an impact on the crystals’ growth quality and optical properties.
Xiaoji Zhao, Yanlu Li, Xian Zhao
doaj   +1 more source

Synthesis of AlN Nanowires by Al-Sn Flux Method

Crystals, 2022
This paper presents a recent study on the synthesis of AlN nanowires. AlN nanowires were successfully prepared on sapphire substrate by the Al-Sn flux method.
Haoxin Mu, Jianli Chen, Lujie Li, Yonggui Yu, Wencheng Ma, Xiaofang Qi, Zhanggui Hu, Yongkuan Xu   +7 more
doaj   +1 more source

Phonons and related crystal properties from density-functional perturbation theory [PDF]

, 2000
This article reviews the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudopotential method.
S. Baroni, Stefano de Gironcoli, A. D. Corso, P. Giannozzi   +3 more
semanticscholar   +1 more source

Crystal structure of tricalcium tantalum trigallium disilicon oxide, Ca3TaGa3Si2O14

Zeitschrift für Kristallographie - New Crystal Structures, 2003
Ca3Ga3O14Si2Ta, trigonal, P321 (No. 150), a = 8.1081(4) Å, c = 4.9850(4) Å, V = 283.8 Å3, Z = 1, Rgt(F) = 0.025, wRref(F2) = 0.064, T = 293 K.
Wang Z.-M., Yu W.-T., Yuan D.-R., Wang X.-Q., Xue G., Shi X.-Z., Xu D., Lv M.-K.   +7 more
doaj   +1 more source