A5021216202- Advanced Photocatalysis Techniques
- Chalcogenide Semiconductor Thin Films
- Perovskite Materials and Applications
- Quantum Dots Synthesis And Properties
- Copper-based nanomaterials and applications
- Catalytic Processes in Materials Science
- Electronic and Structural Properties of Oxides
- Machine Learning in Materials Science
- Ga2O3 and related materials
- Photosynthetic Processes and Mechanisms
- Solid-state spectroscopy and crystallography
- 2D Materials and Applications
- Electrocatalysts for Energy Conversion
- Advanced Semiconductor Detectors and Materials
- Semiconductor materials and devices
- Semiconductor materials and interfaces
- Layered Double Hydroxides Synthesis and Applications
- Ammonia Synthesis and Nitrogen Reduction
- Cancer-related molecular mechanisms research
- Spectroscopy and Quantum Chemical Studies
- Advanced Chemical Physics Studies
- Photoreceptor and optogenetics research
- MXene and MAX Phase Materials
- Catalysis and Oxidation Reactions
- Advanced Thermoelectric Materials and Devices
Jilin Jianzhu University
2017-2025
Hubei University of Arts and Science
2024-2025
Jilin University
2023
Beijing Computational Science Research Center
2017-2021
Xuzhou Medical College
2020
Lianyungang Oriental Hospital
2020
Dalian National Laboratory for Clean Energy
2012-2018
Collaborative Innovation Center of Chemistry for Energy Materials
2016-2018
Dalian Institute of Chemical Physics
2012-2018
Chinese Academy of Sciences
2012-2018
Spatial charge separation achieved on the anisotropic facets of high symmetry SrTiO<sub>3</sub>nanocrystals for highly efficient photocatalytic overall water splitting.
The oxygen evolution reaction (OER) is regarded as one of the key issues in achieving efficient photocatalytic water splitting. Monoclinic scheelite BiVO(4) a visible-light-responsive semiconductor which has proved to be effective for evolution. Recently, synthesis series monoclinic single crystals was reported, and it found that (010), (110), (011) facets are highly exposed O(2) activity depends on degree exposure (010) facets. To explore properties oxidation different facets, DFT...
Cs2AgBiBr6 was proposed as one of the inorganic, stable, and nontoxic replacements methylammonium lead halides (CH3NH3PbI3, which is currently considered most promising light-harvesting material for solar cells). However, wide indirect band gap suggests that its application in photovoltaics limited. Using first-principle calculation, we show by controlling ordering parameter at mixed sublattice, can vary continuously from a 1.93 eV fully ordered double-perovskite structure to small...
The overall electronic properties of double perovskite A<sub>2</sub>B<sup>+</sup>B<sup>3+</sup>X<sub>6</sub> (A = Cs, B<sup>+</sup>/B<sup>3+</sup> metal cation, and X halogen anion) as function atomic orbitals site occupation the B<sup>+</sup> B<sup>3+</sup> cations are studied by using first-principles calculations symmetry analysis for high efficiency solar cell absorbers.
Zn-doped and Pb-doped β-Ga2O3-based photocatalysts were prepared by an impregnation method. The photocatalyst based on the β-Ga2O3 shows a greatly enhanced activity in water splitting while one dramatic decrease activity. effects of Zn(2+) Pb(2+) dopants Ga2O3-based for investigated HRTEM, XPS time-resolved IR spectroscopy. A ZnGa2O4-β-Ga2O3 heterojunction is formed surface region slower decay photogenerated electrons observed. exhibits type-II band alignment facilitates charge separation,...
Abstract Activation of O 2 is a critical step in heterogeneous catalytic oxidation. Here, the concept increased electron donors induced by nitrogen vacancy adopted to propose an efficient strategy develop highly active and stable catalysts for molecular activation. Carbon nitride with vacancies prepared serve as support well sink construct synergistic catalyst Pt nanoparticles. Extensive characterizations combined first-principles calculations reveal that excess electrons could effectively...
Phase transition driven bandgap aberration of Cs<sub>3</sub>Bi<sub>2</sub>I<sub>9−x</sub>Br<italic>x</italic> perovskites by varying <italic>x</italic> was discovered for the first time.
Glycerol is selectively converted to hydroxyacetaldehyde (HAA) and H2 in aqueous solution on TiO2-based photocatalysts. The product selectivity was verified be strongly dependent the facets of TiO2. Rutile with high percentage {110} results over 90% superior HAA, while anatase {001} or {101} gives only 16% 49% for respectively.
Development of a photocatalyst with wide visible light absorption is vital importance in solar-chemical energy conversion. In this work, we introduce new nitrogen-doped layered oxide, Sr5Ta4O15−xNx, which exhibits significantly extended edge compared the undoped oxide Sr5Ta4O15. The extension has been ascribed to substitution nitrogen for oxygen atoms as well formation Ta–N bonds, was confirmed by X-ray diffraction (XRD) patterns, photoelectron spectroscopy (XPS) and Raman spectroscopy....
We demonstrate for the first time that a nitrogen-doped tunneled oxide MgTa2O6−xNx with an absorption edge of ca. 570 nm can drive both water oxidation and reduction half reactions in presence scavengers under visible light irradiation, showing great potential solar splitting.
CdTe is one of the leading materials for low cost, high efficiency thin-film solar cells, because it has a absorption coefficient and nearly ideal band gap 1.48 eV cell according to Shockley-Queisser limit. However, its electricity power conversion (PCE) hindered by relatively open circuit voltage (VOC) due intrinsic defect related issues. Here, we propose strategy improving performance byr reducing "ideal" gain more short-circuit current from long-wavelength without sacrificing much VOC....
It is well known that the DX center a kind of defect limits n-type doping in some tetrahedral coordinated semiconductors. deep negatively charged complex converted from nominal shallow donor defect, which can serve as trap electrons, thus detrimental to performance optoelectronic devices. Similar center, we find donor-yielded (DY center) also exists six-fold semiconducting materials. For example, Bi commonly expected dopant perovskite APbX3. However, our first-principles calculations show DY...
Organic-inorganic hybrid semiconductors, of which organometal halide perovskites are representative examples, have drawn significant research interest as promising candidates for next-generation optoelectronic applications. This is mainly ascribed to the emergent properties semiconductors that distinct from those their purely inorganic and organic counterparts well different material fabrication strategies other (e.g., mechanical) combine advantages both. Herein, we present a high-throughput...
The crystal structure of a material is essentially determined by the nature its chemical bonding. Consequently, atomic coordination intimately correlates with degree ionicity or covalency material. Based on this principle, materials similar compositions can be successfully categorized into different groups. However, counterexamples have recently emerged in complex ternary compounds. For instance, covalent IB-IIIA-VIA2 compounds, such as AgInS2, prefer tetrahedrally coordinated (TCS), while...
Machine learning has boosted the remarkable development of crystal structure prediction (CSP), greatly accelerating modern materials design. However, slow location low-energy regions on potential energy surface (PES) is still a key bottleneck for overall search efficiency. Here, we develop region explorer (LoreX) to rapidly locate PES. This achievement stems from graph-deep-learning-based PES slicing, which classifies structures into different prototypes divide and conquer The accuracy...
The authors clarify here the cause behind discontinuous bandgap behavior in certain isovalent alloys by studying $\ensuremath{\alpha}$-(Rh,Ga)${}_{2}$O${}_{3}$ using first-principles calculations. This challenges applicability of conventional empirical continuous rules. They demonstrate that this unusual is due to unconventional evolution wavefunction character at band edges. work emphasizes importance considering specific band-edge differences endpoint materials for more accurate...
The long noncoding RNA (lncRNA) JPX is a molecular switch for X-chromosome inactivation. Accumulating studies have shown that the aberrant expression and function of lncRNAs are involved in occurrence development tumors. However, functional importance mechanism action lncRNA cervical cancer (CC) remain unknown.In this study, qRT-PCR western blotting were used to evaluate mRNA or protein JPX, miR-25-3p SOX4 CC tissues cell lines. StarBase v2.0 database, luciferase reporter assay...
In photosynthesis, calcium is crucial for oxygen evolution. the absence of Ca2+, Kok cycle has been proven to stop at S2 with Yz•. To explore reason, photosystem II (PSII) models (in total 32452 atoms) different metal ions (Ca2+, Sr2+, and K+) or without Ca2+ involved in evolution complex (OEC) have theoretically studied based on previous dynamic study PSII. It found that portion Mn1 d-orbital decreases highest occupied molecular orbitals Ca2+-depleted This feature unfavorable electron...
Currently, a major obstacle restricting the commercial application of halide perovskites is their low thermodynamic stability. Herein, inspired by high-stability high-entropy alloys, we theoretically investigated variety multielement double-perovskite alloys. First-principles calculations show that entropy contribution to Gibbs free energy, which offsets positive enthalpy up 35 meV/f.u., can significantly enhance material stability We found electronic properties bandgaps (1.04-2.21 eV) and...