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Xiaoli Wang
Linyi University
77Publications
17H-index
858Citations
Publications 77
Newest
Published on Jan 1, 2016in RSC Advances3.05
Junru Jiang4
Estimated H-index: 4
(JLU: Jilin University),
Peifen Zhu19
Estimated H-index: 19
(TU: University of Tulsa)
+ 6 AuthorsHongyang Zhu19
Estimated H-index: 19
(JLU: Jilin University)
We present the high-pressure behavior of energetic material trimethyltin azide ((CH3)3SnN3, TMSnA) by in situ Raman scattering, IR absorption, and synchrotron angle-dispersive X-ray diffraction techniques with pressure up to 35 GPa at room temperature. Raman and IR spectra analyses provide evidence for two reversible phase transitions at 1.4 and 6.6 GPa, respectively, which were confirmed by XRD results. The first phase transition at 1.4 GPa is attributed to the rotation of CH3 group, resulting ...
Published on Jan 1, 2016in RSC Advances3.05
Dongmei Li20
Estimated H-index: 20
(JLU: Jilin University),
Peifen Zhu19
Estimated H-index: 19
(TU: University of Tulsa)
+ 6 AuthorsQiliang Cui23
Estimated H-index: 23
(JLU: Jilin University)
The pressure-induced structural phase transition in AgN3 was investigated using Raman and infrared spectroscopy. At ambient pressure, the Raman-active bending and asymmetric stretch modes of NNN indicate the N3− is nonlinear and/or asymmetrical. Upon compression, a reversible orthorhombic-to-tetragonal phase transition was observed at ∼2.7 GPa, while the degeneration of the lattice modes was present due to the increasing symmetrical element. The softening of the v2(B2u) mode and hardening of the...
Published on Aug 18, 2014in Applied Physics Letters3.52
Dongmei Li20
Estimated H-index: 20
(JLU: Jilin University),
Xiaoxin Wu7
Estimated H-index: 7
(JLU: Jilin University)
+ 4 AuthorsHongyang Zhu19
Estimated H-index: 19
(JLU: Jilin University)
We present the in-situ X-ray diffraction studies of RbN3 up to 42.0 GPa at room temperature to supplement the high pressure exploration of alkali azides. Two pressure-induced phase transitions of α-RbN3 → γ-RbN3 → δ-RbN3 were revealed at 6.5 and 16.0 GPa, respectively. During the phase transition of α-RbN3 → γ-RbN3, lattice symmetry decreases from a fourfold to a twofold axis accompanied by a rearrangement of azide anions. The γ-RbN3 was identified to be a monoclinic structure with C2/m space gr...
Published on Jul 28, 2014in Journal of Chemical Physics3.00
Xiaoli Wang17
Estimated H-index: 17
(LYU: Linyi University),
Jianfu Li13
Estimated H-index: 13
(LYU: Linyi University)
+ 2 AuthorsHai-Qing Lin31
Estimated H-index: 31
Alkali metal azides can be used as starting materials in the synthesis of polymeric nitrogen, a potential high-energy-density material. The structural evolutionary behaviors of nitrogen in CsN3 have been studied up to 200 GPa using particle swarm optimization structure search combining with density functional theory. Three stable new phases with C2/m, P21/m, and P-1 structure at pressure of 6, 13, and 51 GPa are identified for the first time. The phase transition to chain like structure (P-1 pha...
Published on Jul 14, 2014in Journal of Chemical Physics3.00
Xiaoxin Wu7
Estimated H-index: 7
(JLU: Jilin University),
Fengxian Ma12
Estimated H-index: 12
(JLU: Jilin University)
+ 5 AuthorsQiliang Cui23
Estimated H-index: 23
(JLU: Jilin University)
In this study, high pressure infrared (IR) absorption and Raman scattering studies for ammonium azide (NH4N3) were carried out at room temperature up to 20 GPa and 22 GPa, respectively. For comparison and further assignment, the vibrational spectra at ambient conditions were calculated using CASTEP code, particularly for the far- and mid-IR modes. The recorded vibrational data consistently indicated a pressure-induced phase transition at 2.9 GPa. All observed vibrational modes maintained their i...
Published on Jan 9, 2013in New Journal of Physics3.77
Xiaoli Wang17
Estimated H-index: 17
(LYU: Linyi University),
Fubo Tian13
Estimated H-index: 13
(JLU: Jilin University)
+ 5 AuthorsTian Cui34
Estimated H-index: 34
(JLU: Jilin University)
Two new metallic polymeric structures of nitrogen, Pnnm and Cccm, are found by means of the first-principles density functional theory and a random structure-searching method. Firstly, it is shown that the transition behavior of nitrogen from insulator to metal starts at a pressure of approximately 460 GPa at 0 K. The Pnnm phase becomes energetically favorable with respect to cubic gauche at 363 GPa, and then transforms to the Cccm structure at 884 GPa. Electron–phonon coupling calculations sugg...
Published on Mar 1, 2012in Solid State Communications1.43
Jianfu Li13
Estimated H-index: 13
(LYU: Linyi University),
Xiaoli Wang17
Estimated H-index: 17
(LYU: Linyi University)
+ 2 AuthorsLi Chen11
Estimated H-index: 11
(LYU: Linyi University)
Abstract Based on density functional calculations, boron-adsorbed graphene has been found to be a kind of hydrogen-storage medium. B-adsorbed graphene has excellent hydrogen-storage capacity: when the B atoms are adsorbed on one side, the hydrogen-storage capacity is up to 10.10 wt% and when the adsorption is on both sides the capacity is up to 16.95 wt%. In each of these two cases, the hydrogen-storage capacity exceeds 6 wt%, surpassing the target of US Department of Energy (DOE). The calculate...
Published on Jun 1, 2011in Journal of Superhard Materials0.65
Jianfu Li13
Estimated H-index: 13
,
Xiaoli Wang17
Estimated H-index: 17
(JLU: Jilin University)
+ 2 AuthorsLi Chen11
Estimated H-index: 11
With density functional theory, structural, electronic and mechanical properties of tantalum monocarbide (TaC) and tantalum mononitride (TaN) of the tungsten carbide (WC), nickel arsenide (NiAs), rock salt (NaCl), cesium chloride (CsCl), and zinc blende structure were investigated, respectively. Our results indicate that TaN of the WC-type structure (TaN-WC), which has a large bulk modulus, Young’s modulus, and a small Poisson’s ratio, is the most stable one among the considered compounds. The t...
Published on Jan 14, 2011in Journal of Chemical Physics3.00
Liancheng Wang8
Estimated H-index: 8
(JLU: Jilin University),
Kuo Bao9
Estimated H-index: 9
(JLU: Jilin University)
+ 5 AuthorsGuangtian Zou47
Estimated H-index: 47
(JLU: Jilin University)
The structural and dynamical properties of solid ammonia borane were investigated by means of extensive density functional theory calculation up to 60 GPa. Molecular dynamics simulations suggest that the Cmc21 phase found by recent room-temperature x-ray diffraction experiments can be obtained from the Pmn21 structure at high pressure and low temperature. Two new high-pressure phases were found on further compression at room temperature. We also found that all three high-pressure phases have pro...
Published on Nov 1, 2010in Physica B-condensed Matter1.87
Jianfu Li13
Estimated H-index: 13
,
Xiaoli Wang17
Estimated H-index: 17
(JLU: Jilin University)
+ 3 AuthorsHaigui Yang1
Estimated H-index: 1
(Kyushu University)
Abstract Chemical bonding, elastic behavior, phase stability and hardness of TcB have been systematically studied with first-principles calculation. Results indicate that chemical bonding of TcB contains covalent, ionic and metallic components. Phase stability of TcB can be understood in terms of band filling, and hexagonal wurtzite structure is indicated to be more stable than others. Studies of hardness, elastic behavior and anti-compressibility demonstrate that there is no obvious connection ...
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