A5016495657- Organic Light-Emitting Diodes Research
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- TiO2 Photocatalysis and Solar Cells
- Advanced Photocatalysis Techniques
- Luminescence and Fluorescent Materials
- Lanthanide and Transition Metal Complexes
- Quantum Dots Synthesis And Properties
- Magnetism in coordination complexes
- Photochemistry and Electron Transfer Studies
- Graphene research and applications
- Boron and Carbon Nanomaterials Research
- Porphyrin and Phthalocyanine Chemistry
- 2D Materials and Applications
- Crystallography and molecular interactions
- Photochromic and Fluorescence Chemistry
- Photonic and Optical Devices
- Catalytic Cross-Coupling Reactions
- Molecular Junctions and Nanostructures
- Metal-Organic Frameworks: Synthesis and Applications
- Complex Network Analysis Techniques
- Organometallic Complex Synthesis and Catalysis
- MXene and MAX Phase Materials
- Advancements in Battery Materials
- Crystal structures of chemical compounds
Tianjin University
2025
China Southern Power Grid (China)
2024
Nanjing Tech University
2023-2024
Tianjin Medical University Cancer Institute and Hospital
2024
Aerospace Research Institute of Materials and Processing Technology
2024
Shenzhen University
2022-2024
University of Hong Kong
2011-2024
Jilin University
2014-2023
Huazhong University of Science and Technology
2023
China Shipbuilding Industry Corporation (China)
2023
The main aim of this study was to investigate the effects initial pH values buffer on photo-fermentation biohydrogen production. Hydrogen production and kinetics it under different were analyzed. Effects reducing sugar consumption, hydrogen rate, byproduct evaluated at 5–7. results showed that phosphate had a significant effect via photo-fermentation. With value 6.0, cumulative reached its maximum, 569.6 mL. maximum rate 23.96 mL/h 6.5. 5.0 7.5, rates becoming lower, only 5.59 5.42 mL/h,...
The Ru(II) complexes [Ru(bpp)(dcbpy)Cl](+) (1), [Ru(tcbpp)(bpy)Cl](+) (2), and [Ru(tc'bpp)(bpy)Cl](+) (3) (bpp = 2,6-bis(N-pyrazolyl)pyridine, dcbpy 4,4'-dicarboxyl-bipyridine, bpy bipyridine, tcbpp 4-carboxyl-2,6-bis(2-carboxyl-N-pyrazolyl)pyridine, tc'bpp 4-carboxyl-2,6-bis(4-carboxyl-N-pyrazolyl)pyridine) are studied theoretically using density functional theory (DFT) techniques to explore their properties as dye in a solar cell. calculated geometry structure absorption spectrum of 1...
We report, from a theoretical point of view, the first comparative study between highly water-stable hydroxamate and widely used carboxylate, in addition to robust phosphate anchors. Theoretical calculations reveal that would be better for photoabsorption. A quantum dynamics description interfacial electron transfer (IET), including underlying nuclear motion effect, is presented. find both carboxylate have efficient IET character; injection time significantly longer (several hundred...
D–A–π–A dyes have exhibited several excellent advantages including optimized energy levels, and distinct improvement of photovoltaic performance stability. By modulating the auxiliary acceptor unit, efficiency dye based dye-sensitized solar cells can be further improved. Based on density functional theory methods, sixteen dimethoxyl-substituted triphenylamine composed different groups were designed, meanwhile for reference four homologous D–π–A also compared in this work. The properties all...
A series of dppnc- and neocuproine-based CuI complexes (dppnc=7,8-bis(diphenylphosphino)-7,8-dicarba-nido-undecaborate) are synthesized the emission color these can be tuned from green to deep red via rational modification neocuproine ligand structure. The molecular structures emissive complexes, Cu(dppnc)-G (green emitting), Cu(dppnc)-Y (yellow Cu(dppnc)-R (red characterized their electronic related transition properties elucidated by photo-physical computational (density functional theory)...
Metal-based thermally activated delayed fluorescence (TADF) is conceived to inherit the advantages of both phosphorescent metal complexes and purely organic TADF compounds for high-performance electroluminescence. Herein a panel new Au(I) emitters has been designed synthesized by using carbazole pyrazine-fused nitrogen-heterocyclic carbene (NHC) as donor acceptor ligands, respectively. Single-crystal X-ray structures show linear molecular shape coplanar arrangement with small dihedral angles...
DSSCs have been extensively investigated in the past decade, and search for more efficient dyes remains challenging. In this work we discuss influences of elongating π-spacers rigidifying dithiophene on performance dithiafulvenyl (DTF)-based organic using density functional theory (DFT) time-dependent DFT methods. We show that systematically π-spacer DTF-2P dye by increasing number thiophene groups tends to red-shift absorption peak broaden range, thus improving light-harvesting efficiency...
Abstract Two new non‐centrosymmetric ternary compounds, MgSiAs 2 and Mg 3 Si 6 As 8 , are discovered via metal flux solid‐state synthetic methods. belongs to the well‐known II‐IV‐V family, which is extensively studied experimentally computationally for their optical properties. predicted but not known prior this work. crystallizes in a cubic chiral structure type with Pearson symbol cP 68. The syntheses, crystal structure, thermal chemical stabilities, electronic structures, properties of...
A comprehensive and concrete exploration into the deactivation mechanisms of luminescent materials is imperative, with improvement simulating computing technology. In this study, an integrated calculation scheme employed on five Ir(III) complexes for thorough investigation their photophysical properties, including radiative ( kr) nonradiative knr) decay rates. As a most famous complex superior quantum efficiency, fac-Ir(ppy)3 herein serves as reference relative to other four β-diketonate...
The synthesis, excited-state dynamics, and biological application of luminescent lanthanide salen complexes (Ln = Lu, Gd, Eu, Yb, N, N'-bis(salicylidene)ethylenediamine-based ligands) with sandwich structures are described. Among them, Lu(III) show unusually strong ligand-centered fluorescence quantum yields up to 62%, although the metal center is close a chromophore ligand. dynamic studies including ultrafast spectroscopy for Ln-salen revealed that their excited states solely dependent on...
This research was based on the quantum chemical calculations of a set valid photoswitches azobenzene compounds, with aim describing their thermal isomerization. The influences familiar fluorine substitution and additional electron-donating groups (EDGs) electron-withdrawing (EWGs) para-position were also systematically studied. results show that presence in different ortho-positions has distinct effect molecular orbital distribution E isomer, which realizes purpose splitting n → π*...
Three natural porphyrin derivatives as dyes adsorbed on the semiconductor titanium dioxide surface were studied theoretically to explore their spectroscopic properties, photovoltaic parameters and potential application future in DSSCs.
A structurally stable stacked multilayer carbonitride is predicted with the aid of ab initio calculations. This consists C3N tetrahedra, and similar to T-carbon thus named T-C3N. Its 2-dimensional (2D) monolayer also carefully investigated in this work. The studies on electronic properties reveal that bulk 2D T-C3N are insulators a 5.542 eV indirect band gap 5.741 direct gap, respectively. However, exhibits an excellent uniform porosity. 5.50 Å pore size perfect for water nanofiltration....
Luminescent coinage metal complexes have shown promising applications as electroluminescent emitters, photocatalysts/photosensitizers, and bioimaging/theranostic agents, rendering them attractive alternatives to transition based on iridium, ruthenium, platinum that extremely low earth abundance. In comparison the widely studied Au(I) Cu(I) complexes, Ag(I) seldom been explored in this field because of their inferior emission properties. Herein, we report a novel series [Ag(N^N)(P^P)]PF6...
To achieve low-carbon bioeconomy, we established a carbon-efficient bioproduction approach by fine-tuning non-glycolysis pathway, which reduces CO 2 emission and balances the acetyl-CoA redox supply from sugar breakdown to pathway demand.