A5025279176- High-pressure geophysics and materials
- Supercapacitor Materials and Fabrication
- MXene and MAX Phase Materials
- Advancements in Battery Materials
- Geological and Geochemical Analysis
- Advanced Chemical Physics Studies
- Advanced battery technologies research
- Boron and Carbon Nanomaterials Research
- Astro and Planetary Science
- Quantum, superfluid, helium dynamics
- Crystal Structures and Properties
- Inorganic Chemistry and Materials
- Advanced Condensed Matter Physics
- Advanced Battery Technologies Research
- Superconductivity in MgB2 and Alloys
- Perovskite Materials and Applications
- Crystallization and Solubility Studies
- Magnesium Oxide Properties and Applications
- Power Systems and Technologies
- Advanced Thermoelectric Materials and Devices
- Advanced Battery Materials and Technologies
- Advanced Polymer Synthesis and Characterization
- Electrocatalysts for Energy Conversion
- Conducting polymers and applications
- Magnetic and transport properties of perovskites and related materials
Carnegie Institution for Science
2025
Collaborative Innovation Center of Advanced Microstructures
2017-2024
Nanjing University
2009-2024
Harbin University of Science and Technology
2024
Sun Yat-sen University
2024
The University of Tokyo
2024
National Institute for Materials Science
2024
Jilin Medical University
2024
Jilin University
2024
Universitat Politècnica de Catalunya
2022-2023
Abstract The notoriously poor stability of perovskite solar cells is a crucial issue restricting commercial applications. Here, fluorinated perylenediimide (F‐PDI) first introduced into film to enhance the device's photovoltaic performance, as well thermal and moisture simultaneously. conductive F‐PDI molecules filling at grain boundaries (GBs) surface can passivate defects promote charge transport through GBs due chelation between carbonyl noncoordinating lead. Furthermore, an effective...
High electronic conductivity and excellent specific capacitance still remain challenge for the practical application of hydrogel electrodes. Herein, a novel polymer composite electrode, PANI/PVA/ATMP/Ag (PPA-Ag), has been successfully constructed...
We propose a two-stage robust optimization model for the distribution network reconfiguration problem with load uncertainty. The first-stage decision is to configure radial and second-stage find optimal a/c power flow of reconfigured given demand realization. solve by using column-and-constraint generation algorithm, where master subproblem are formulated as mixed-integer second-order cone programs. Computational results 16, 33, 70, 94-bus test cases reported. that configuration from does...
Polynitrogen compounds especially pentazolate anion complexes recently have attracted substantial attention due to their promising potential as high-energy-density materials. Here, using a machine-learning-accelerated crystal structure search method and first-principles calculations, we predict new hybrid compound by inserting large fraction of nitrogen into alkaline-earth metals. It is stoichiometric type MN10 (M = Be, Mg), which possesses metal-centering octahedral framework with the space...
High-energy-density materials (HEDMs) have been intensively studied for their significance in fundamental sciences and practical applications. Here, using the molecular crystal structure search method based on first-principles calculations, we predicted a series of metastable energetic trivalent metal pentazolate salts MN15 (M= Al, Ga, Sc, Y). These compounds high energy densities, with highest nitrogen content among nitrides so far. Pentazolate N5- molecules stack up face-to-face form...
Abstract The kinetics and storage‐capacity of NiCoMg‐ternary layered double hydroxide (NiCoMg‐LDH) are successfully boosted by valence engineering. As the cathode for aqueous magnesium‐ion batteries (AMIBs), assembled NiCoMg‐LDH//active carbon (AC) delivers a high specific discharge capacity (121.0 mAh·g −1 at 0.2 A·g ), long‐term cycling stability (85% retention after 2000 cycles 1.0 ) an excellent performance −30 °C. Moreover, NiCoMg‐LDH//perylenediimide (PTCDI) is assembled, achieving...
Abstract Aqueous Zn‐ion batteries are attracting extensive attention, but their large‐scale application is prevented by the poor electrochemical kinetics and terrible lifespan. Herein, a strategy of introducing conductive poly(3,4‐ethylenedioxythiophene) (PEDOT) into interlayers α‐MoO 3 reported to systematically overcome above shortcomings. Through data analyses cyclic coltammetry, impedance spectroscopy, galvanostatic intermittent titration technique, PEDOT‐intercalated MoO (PEDOT‐MoO )...
Magnesium Oxide (MgO) and water (H2O) are abundant in the interior of planets. Their properties, particular their interaction, significantly affect planet structure thermal evolution. Here, using crystal predictions ab initio molecular dynamics simulations, we find that MgO H2O can react again at ultrahigh pressure, although Mg(OH)2 decomposes low pressure. The reemergent MgO-H2O compounds are: Mg2O3H2 above 400 GPa, MgO3H4 600 MgO4H6 pressure range 270-600 GPa. Importantly, contains 57.3 wt...
Two dimensional (2D) alloys, especially transition metal dichalcogenides, have attracted intense attention owing to their band-gap tunability and potential optoelectrical applications. Here, we report the controllable synthesis of wafer-scale, few-layer GaTexSe1–x alloys (0 ≤ x 1) by molecular beam epitaxy (MBE). We achieve a layer-by-layer growth mode with uniform distribution Ga, Te, Se elements across 2 in. wafers. Raman spectroscopy was carried out explore composition-dependent vibration...
Natural gas pipeline congestion will impact on the fuel adequacy of several natural fired generating units at same time. This letter focuses development a robust optimization methodology for scheduling quick start when considering resource availability constraints. transmission be approximated by linear constraints, and linepack capacity pipelines considered in proposed model. Case studies show effectiveness model algorithms.
Both helium and ammonia are main components of icy giant planets. While is very reactive, the most inert element in universe. It great interest whether can react with each other under planetary conditions, if so, what kinds structures states matter form. Here, using crystal structure prediction methods first-principles calculations, we report three new stable stoichiometries eight phases He−NH3 compounds pressures up to 500 GPa. These may exhibit perovskitelike for HeNH3 He2NH3, a host-guest...
Abstract Helium and methane are major components of giant icy planets abundant in the universe. However, helium is most inert element periodic table one hydrophobic molecules, thus whether they can react with each other fundamental importance. Here, our crystal structure searches first-principles calculations predict that a He3CH4 compound stable over wide range pressures from 55 to 155 GPa HeCH4 becomes around 105 GPa. As nice examples pure van der Waals crystals, insertion atoms changes...
Silica (${\mathrm{SiO}}_{2}$), as a raw material of silicon, glass, ceramics, abrasive, and refractory substances, etc., is significant importance in industrial applications fundamental research such electronics planetary science. Here, using crystal structure searching method first-principles calculations, we predicted that ground state crystalline phase silica with $R\overline{3}$ symmetry stable at around 645--890 GPa, which contains six-, eight-, nine-coordinated silicon atoms results an...
Silica, water, and hydrogen are known to be the major components of celestial bodies, have significant influence on formation evolution giant planets, such as Uranus Neptune. Thus, it is fundamental importance investigate their states possible reactions under planetary conditions. Here, using advanced crystal structure searches first-principles calculations in Si-O-H system, we find that a silica-water compound (SiO_{2})_{2}(H_{2}O) silica-hydrogen SiO_{2}H_{2} can exist high pressures above...
With the rapid development of society, demand for gas is constantly increasing, and scale pipeline laying becoming larger larger. However, location more secretive. The initial laid old, number leakage accidents increasing year by year, seriously endangering people's lives property safety. current commonly used monitoring methods points have low accuracy rely heavily on manpower, therefore, technological innovation needed points. This article analyzes advantages disadvantages sound wave...
Simulations show that thanks to a clear electronic mechanism, even the simplest crystal structure---the simple cubic phase of calcium---exhibits ``chain melting,'' in which 1D chains atoms within solid begin move concert as temperature increases.