A5069045505- Advanced Chemical Physics Studies
- Nuclear Materials and Properties
- Rare-earth and actinide compounds
- Hydrogen Storage and Materials
- Boron and Carbon Nanomaterials Research
- High-pressure geophysics and materials
- Radioactive element chemistry and processing
- Fusion materials and technologies
- Cold Atom Physics and Bose-Einstein Condensates
- Nuclear materials and radiation effects
- Intermetallics and Advanced Alloy Properties
- Spectroscopy and Laser Applications
- Inorganic Chemistry and Materials
- Atomic and Molecular Physics
- ZnO doping and properties
- Inorganic Fluorides and Related Compounds
- Superconductivity in MgB2 and Alloys
- Optical properties and cooling technologies in crystalline materials
- X-ray Diffraction in Crystallography
- MXene and MAX Phase Materials
- Chalcogenide Semiconductor Thin Films
- Metal and Thin Film Mechanics
- Ammonia Synthesis and Nitrogen Reduction
- Crystallography and molecular interactions
- Crystal Structures and Properties
Sichuan University
2016-2025
Ningxia Medical University
2025
Shandong Agricultural University
2024
Chang'an University
2024
Fuzhou University
2023
Chengdu University
2014-2020
Science and Technology on Surface Physics and Chemistry Laboratory
2020
Chengdu University of Information Technology
2018
State Council of the People's Republic of China
2017
Luoyang Normal University
2016
The knowledge of stoichiometries alkaline-earth metal nitrides, where nitrogen can exist in polynitrogen forms, is significant interest for understanding bonding and its applications energy storage. For calcium there were three known crystalline CaN2, Ca2N, Ca3N2, at ambient conditions. In the present study, we demonstrated that are more stable forms nitrides than what already to high pressures. Using a global structure searching method, theoretically explored phase diagram CaNx discovered...
Intermolecular friction (IF) is an important but unclear concept in the material world. We propose intermolecular symbols (IFSs) to straightforwardly and roughly evaluate IF crystal bulks introduce a method for plotting them terms of close contacts among assigned molecule its neighbors lattice. Also, we confirm that IFS simple efficient tool understand experimental observations related IF, by applying successfully it assess impact sensitivity explosives.
The feasibility of laser cooling $M\mathrm{H}$ ($M=\mathrm{Be},\phantom{\rule{0.16em}{0ex}}\mathrm{Mg},\phantom{\rule{0.16em}{0ex}}\mathrm{Ca},\phantom{\rule{0.16em}{0ex}}\mathrm{Sr},\phantom{\rule{0.16em}{0ex}}\mathrm{and}\phantom{\rule{0.16em}{0ex}}\mathrm{Ba}$) is investigated using ab initio quantum chemistry. ground state $X\phantom{\rule{0.16em}{0ex}}{}^{2}{\ensuremath{\Sigma}}^{+}$ and first excited $A\phantom{\rule{0.16em}{0ex}}{}^{2}\ensuremath{\Pi}$ species are calculated the...
This paper performs molecular dynamics simulations to investigate the role of monovalent cations K, Na and divalent cation Ca on stability swelling montmorillonite. The recently developed CLAYFF force field is used predict basal spacing as a function water content in interlayer. reproduced pattern these montmorillonites, suggesting mechanism their hydration different (K+ < Na+ Ca2+) from that K+-, Na+-, Ca2+-montmorillonites. In particular, results indicate valence has larger impact...
High-level multireference configuration interaction plus Davidson correction (MRCI + Q) calculation method was employed to determine the potential energy curves (PECs) of 10 Λ-S states, which come from first and second dissociation channels SbP molecule, as well 34 Ω states considering spin-orbit coupling (SOC) effect. By solving Schrödinger equation for nuclear motion, spectroscopic constants ground state X1Σ+ low-lying excited were obtained compared with experimental data. The excellent...
Cognitive impairment frequently accompanies temporal lobe epilepsy (TLE), which is linked to oxidative stress. Freeze-dried broccoli powder (BROC) exhibits diverse biological activities, particularly its antioxidant properties. Our study explored the effects of BROC on post-epileptic cognitive function. Male mice with lithium-pilocarpine-induced were randomly divided into three groups: control group, model group (basal diet), and intervention diet supplemented 4% BROC). Following 60 days...
Nanosecond scanning laser ablation MC-ICP-MS (213 nm) was applied to the measurement of intensity ratios ultrapure single crystalline silicon (WASO04), which is used in XRCD-method and general...
A theoretical investigation of the feasibility laser-cooling $^{24}\mathrm{Mg}^{19}\mathrm{F}$ molecule is performed using ab initio calculations. The low-lying electronic states are determined by multireference configuration-interaction (MRCI) method, where Davidson modification (+Q) with Douglas-Kroll-Hess scalar relativistic correction also taken into account. calculated spectroscopic constants in excellent agreement available experimental data. Franck-Condon factors (FCFs), radiative...
We investigate the feasibility of laser cooling BBr and BCl using ab initio quantum chemistry. The multi-reference configuration interaction method (MRCI) is used to calculate ground state X(1)Σ(+) low-lying excited A(1)Π, where Davidson modification with Douglas-Kroll scalar relativistic correction also taken into account. calculated spectroscopic constants are in good agreement available experimental values. potential energy curves, permanent dipole moments (PDMs), transition (TDMs)...
The feasibility of laser cooling BH and GaF is investigated using<italic>ab initio</italic>quantum chemistry.