A5061143763- Advanced Photocatalysis Techniques
- Quantum Dots Synthesis And Properties
- ZnO doping and properties
- TiO2 Photocatalysis and Solar Cells
- Graphene research and applications
- Gas Sensing Nanomaterials and Sensors
- Synthesis and properties of polymers
- Polymer Nanocomposite Synthesis and Irradiation
- Copper-based nanomaterials and applications
- Electronic and Structural Properties of Oxides
- Advanced Chemical Physics Studies
- Quantum and electron transport phenomena
- Epoxy Resin Curing Processes
- Molecular Junctions and Nanostructures
- Chalcogenide Semiconductor Thin Films
- Spectroscopy and Quantum Chemical Studies
- Silicone and Siloxane Chemistry
- Perovskite Materials and Applications
- Nonlinear Optical Materials Studies
- 2D Materials and Applications
- Ga2O3 and related materials
- Gold and Silver Nanoparticles Synthesis and Applications
- Photochemistry and Electron Transfer Studies
- Transition Metal Oxide Nanomaterials
- Advanced Sensor and Energy Harvesting Materials
Chalmers University of Technology
2015-2025
Kunming University of Science and Technology
2025
Northwest University
2013-2024
Institute of Process Engineering
2024
Applied Materials (United States)
2024
Beijing Radiation Center
2016-2023
Chinese Academy of Sciences
2011-2023
Chinese Academy of Medical Sciences & Peking Union Medical College
2017-2023
Guang’anmen Hospital
2017-2023
Kunming University
2023
We design a series of metal-free donor-π-bridge molecules (denoted VB0–VB4) based on new donor group—ullazine donor—as sensitizers for dye sensitized solar cell (DSSC) applications. Density functional theory (DFT) and time-dependent DFT calculations reveal that the physical properties dyes, including spectral response, light harvesting efficiency, electron injection rate, are systematically improved by combining ullazine to length changing π bridges. Dye VB2 is best candidate thanks its...
We investigate the effects of carbon coating, with and without nitrogen-dopants, on electrochemical performance a promising anode material Li4Ti5O12 (LTO) in lithium ion battery applications. The comparative experimental results show that LTO samples coated nitrogen-doped derived from pyridine an ionic liquid exhibit significant improvements rate capability cycling compared sample by toluene pristine sample. For first time, we construct atomistic model for interface between transition metal...
In this work we target on accurately predicting energy conversion efficiency of dye-sensitized solar cells (DSC) using parameter-free first principles simulations. We present a set algorithms, mostly based solo calculations within the framework density functional theory, to calculate key properties in including sunlight absorption, electron injection, electron–hole recombination, open circuit voltages, and so on. choose two series donor-π-acceptor dyes with detailed experimental photovoltaic...
Emission of photoexcited hot electrons from plasmonic metal nanostructures to semiconductors is key a number proposed nanophotonics technologies for solar harvesting, water splitting, photocatalysis, and variety optical sensing photodetector applications. Favorable materials catalytic properties make systems based on gold TiO2 particularly interesting, but the internal photoemission efficiency visible light low because wide bandgap semiconductor. We investigated incident photon-to-electron...
Poly(lactic acid) (PLA)-based nanofibrous membranes (NFMs) hold great potential in the field of biodegradable filters for air purification but are largely limited by relatively low electret properties and high susceptibility to bacteria. Herein, we disclosed a facile approach fabrication electroactive antibacterial PLA NFMs impregnated with highly dielectric photocatalyst. In particular, microwave-assisted doping (MAD) protocol was employed yield Zn-doped titanium dioxide (Zn-TIO), featuring...
The formation of a Schottky barrier at the metal-semiconductor interface is widely utilised in semiconductor devices. With emerging novel based nanoelectronics, further microscopic understanding this high demand. Here we provide an atomistic insight into potential and band bending by ab initio simulations model analysis prototype diode, i.e., niobium doped rutile titania contact with gold (Au/Nb:TiO2). local height found to vary between 0 1.26 eV depending on position dopant. caused dopant...
Acetylene (C2H2) and copper foil have been chosen as carbon precursor catalyst, respectively, for the synthesis of graphene by atmospheric pressure chemical vapor deposition. The effects hydrogen (H2) concentration on growth studied Raman spectroscopy transmission electron microscopy. Different to methane a precursor, high-quality bilayer films can be grown rapidly with ratio H2 argon (Ar) flow rates (H2/Ar) range from 0.010 0.111. However, further increase (H2/Ar = 0.250 H2/Ar 0.429),...
Accurate and in-time detection of bacteria conduces to preventing their rapid spread around the environment, while a nucleic acid test (NAT) is powerful tool for early diagnosis pathogens. Herein, we propose hybridization chain reaction (HCR)-mediated multisite exonuclease III (Exo-III) amplification strategy (HCR/Exo-III amplifier) achieve one-pot ultrasensitive isothermal bacterial 16S rRNA portable fluorescence device (PFD) directly read signals in lateral flow assay (LFA). In detail,...
Abstract A structure–property relationship in all‐organic dye solar cells is revealed by first‐principles molecular dynamics and real‐time time‐dependent density functional theory simulations, accompanied with experimental confirmation. An important structural feature at the interface, Ti–N anchoring, for a broad group of dyes on TiO 2 inferred from energetics, vibrational recognition, electronic data. This fact contrary to usual assumption; however, it optimizes level alignment...
Adsorption structure of Eosin Y dyes on nanocrystalline TiO2 can be manipulated by adding a small fraction water into organic electrolyte. Binding mode switching from hydrogen bonded monodentate to bidentate bridging configuration has been observed and confirmed Raman infrared spectroscopy measurements, with vibration peaks assigned using density functional theory calculations. Photovoltaic measurements the fabricated dye-sensitized solar cells indicate that energy conversion efficiency is...
Abstract Separating helium (He) and hydrogen (H 2 ), two gases that are extremely similar in molecular size condensation properties, presents a formidable challenge the industry. The development of membranes capable precisely differentiating between these is crucial for achieving large‐scale, energy‐efficient He/H separation. However, limited selectivity current has hindered their practical application. In this study, we propose novel approach to overcome by engineering submicroporous...
We have performed real-time excited state simulations of electron injection and charge recombination at a dye/semiconductor interface within the framework time-dependent density functional theory (TDDFT). found that by inserting phenyl ring into organic dye, rate is slowed down about four times, while keeps almost same. This introduces drastic increase in energy conversion efficiency several folds, agreement with experimental observations. Quantum thus provide new way to understand role...
Large area Ga-doped ZnO nanowire arrays have been vertically grown on transparent conducting substrate by a simple chemical vapor deposition method. Experimental results reveal the well-aligned array morphology and uniform Ga concentration in these nanowires with individual of single crystallinity. In particular, direct I−V measurements performed indium−tin oxide (ITO) disclose both low resistivity its Ohmic contact substrate, which characteristics make them promising candidates for various...
Two hybrid van der Waals density functionals (vdW-DFs) are constructed using 25%, Fock exchange with i) the consistent-exchange vdW-DF-cx functional and ii) vdW-DF2 functional. The ability to describe covalent non-covalent binding properties of molecules assessed. For related binding, atomization energies (G2-1 set), molecular reaction (G2RC as well ionization (G21IP set) benchmarked against experimental reference values. We find that hybrid-vdW-DF-cx yields results rather similar those...
Herein, a BiOCl/Bi<sub>2</sub>Ti<sub>2</sub>O<sub>7</sub> heterojunction was prepared as an efficient visible light-driven photocatalyst through <italic>in situ</italic> hydrothermal method, and its photocatalytic properties were investigated <italic>via</italic> comparable method.