A5058308419- Advanced Photocatalysis Techniques
- Ammonia Synthesis and Nitrogen Reduction
- Electrocatalysts for Energy Conversion
- Catalytic Processes in Materials Science
- Hydrogen Storage and Materials
- Advanced battery technologies research
- MXene and MAX Phase Materials
- TiO2 Photocatalysis and Solar Cells
- Advancements in Battery Materials
- Graphene research and applications
- Copper-based nanomaterials and applications
- Fuel Cells and Related Materials
- Nanomaterials for catalytic reactions
- Electronic and Structural Properties of Oxides
- Carbon Nanotubes in Composites
- Gas Sensing Nanomaterials and Sensors
- CO2 Reduction Techniques and Catalysts
- Advanced Battery Materials and Technologies
- ZnO doping and properties
- Electrochemical Analysis and Applications
- Supercapacitor Materials and Fabrication
- Quantum Dots Synthesis And Properties
- Perovskite Materials and Applications
- Catalysis and Oxidation Reactions
- Advancements in Solid Oxide Fuel Cells
Ningbo University
2022-2025
Swinburne University of Technology
2017-2025
Northeastern University
2025
Shandong Jianzhu University
2025
Monash University
2013-2024
Technical University of Munich
2024
Shandong University of Science and Technology
2023-2024
Affiliated Hospital of Chengde Medical College
2024
Weifang Chinese Medicine Hospital
2024
Jiangsu University
2023-2024
Electronic structure intrinsically controls the light absorbance, redox potential, charge-carrier mobility, and consequently, photoreactivity of semiconductor photocatalysts. The conventional approach modifying electronic a photocatalyst for wider absorption range by anion doping operates at cost reduced potentials and/or so that its is usually limited some important reactions may not occur all. Here, we report sulfur-doped graphitic C3N4 (C3N4−xSx) with unique displays an increased valence...
Owing to wide-ranging industrial applications and fundamental importance, tailored synthesis of well-faceted single crystals anatase TiO(2) with high percentage reactive facets has attracted much research interest. In this work, high-quality single-crystal nanosheets mainly dominated by {001} have been prepared using a water-2-propanol solvothermal synthetic route. The synergistic functions 2-propanol HF on the growth were studied first-principle theoretical calculations, revealing that...
Boron has been explored as p-block catalysts for nitrogen reduction reaction (NRR) by density functional theory. Unlike transition metals, on which the active centers need empty d orbitals to accept lone-pair electrons of molecule, sp3 hybrid orbital boron atom can form B-to-N π-back bonding. This results in population N-N π* and concomitant decrease bond order. We demonstrate that catalytic activity is highly correlated with degree charge transfer between substrate. Among 21...
High faradaic efficiency reduction of N<sub>2</sub> to NH<sub>3</sub> is achieved in ionic liquid media under ambient conditions.
Abstract The integration of heterometallic units and nanostructures into metal–organic frameworks (MOFs) used for the oxygen evolution reaction (OER) can enhance electrocatalytic performance help elucidate underlying mechanisms. We have synthesized a series stable MOFs (CTGU‐10a1–d1) based on trinuclear metal carboxylate clusters hexadentate ligand with (6,6)‐connected nia net. also present strategy to synthesize hierarchical bimetallic MOF (CTGU‐10a2–d2). Among these, CTGU‐10c2 is best...
N zusetzen: Die Absorption von bordotiertem mesoporösem TiO2 im sichtbaren Bereich hängt stark vom Dotierungszustand ab und kann durch gleichzeitige Dotierung mit Stickstoff erhöht werden. Durch die neuen O-Ti-B-N-Oberflächenstrukturen (siehe Bild) der Photokatalysator Ladungsträger hoch aktiv sammeln separieren, photokatalytische Aktivität bei Bestrahlung Licht ist deutlich verbessert. Supporting information for this article is available on the WWW under...
MXenes: potential catalysts for the electrochemical synthesis of ammonia.
Two-dimensional (2D) transition-metal (groups IV, V, VI) carbides (MXenes) with formulas M3C2 have been investigated as CO2 conversion catalysts well-resolved density functional theory calculations. While MXenes from the group IV to VI series demonstrated an active behavior for capture of CO2, Cr3C2 and Mo3C2 exhibit most promising CH4 selective capabilities. Our results predicted formation OCHO• HOCO• radical species in early hydrogenation steps through spontaneous reactions. This provides...
Nanosized anatase TiO(2) single crystals with 18% {001} facets have a raised conduction band minimum by 0.1 eV, and exhibit photocatalytic activity both for generating *OH radicals splitting water into hydrogen that is markedly superior--by factors of 5.6 8.2, respectively--to reference ca. 3 microm 72% facets.
The synthesis of hydrogen peroxide (H2O2) from H2O and O2 by metal-free photocatalysts (e.g., graphitic carbon nitride, C3N4) is a potentially promising approach to generate H2O2. However, the photocatalytic H2O2 generation activity pristine C3N4 in pure poor due unpropitious rapid charge recombination unfavorable selectivity. Herein, we report facile method boost production grafting cationic polyethylenimine (PEI) molecules onto C3N4. Experimental results density functional theory (DFT)...
Abstract Reported herein are two new polymorphic Co‐MOFs (CTGU‐5 and ‐6) that can be selectively crystallized into the pure 2D or 3D net using an anionic neutral surfactant, respectively. Each polymorph contains a H 2 O molecule, but differs dramatically in its bonding to framework, which turn affects crystal structure electrocatalytic performance for hydrogen evolution reaction (HER). Both experimental computational studies find CTGU‐5 has coordinates water more open access cobalt site...
Advanced electrocatalysts toward oxygen evolution reaction (OER) at high current density with low overpotential remain a significant challenge for electrochemical water splitting. Herein, NiFe-based catalysts appropriate electronic conductivity and catalytic activity have been obtained through introduction of vacancies by facile economic NaBH4 reduction approach. The combined functional theory calculations, physical characterization, studies disclose that the reductive treatment creates...
A new defect mechanism for the ORR was proposed based on theoretical calculations and our experimental results.
The distribution of dopants in semiconductors can intrinsically determine the electronic structure and consequently absorbance, redox potential, charge-carrier mobility semiconductor photocatalysts. In contrast to most reported nitrogen-doped titania photocatalysts with some localized states intrinsic band gap small visible light absorption shoulders induced by inhomogeneous nitrogen doping near particle surface, we report here homogeneous substitution O N whole particles layered titanates....
By first-principles computations, nitrogen becomes activated <italic>via</italic> distal pathway on the single Ru-atom-embedded two boron monolayers, exhibiting relatively low reaction energy barriers of 0.42 and 0.44 eV, respectively.
Synthetic procedure of three-dimensional porous graphene-like sheets <italic>via</italic> low-temperature graphitization.
Electrochemical nitrogen reduction reaction (NRR) over nonprecious-metal and single-atom catalysts has received increasing attention as a sustainable strategy to synthesize ammonia. However, the atomic-scale regulation of such active sites for NRR catalysis remains challenging because large distance between them, which significantly weakens their cooperation. Herein, utilization regular surface cavities with unique microenvironment on graphitic carbon nitride "subnano reactors" precisely...
Graphdiyne (GD) is a new carbon allotrope, consisting of an sp- and sp2-hybridized network. In this work, density functional theory calculations are carried out to investigate the adsorption diffusion lithium (Li) atoms on GD monolayers, results compared with those for graphyne graphene monolayers. High-capacity Li storage, as LiC3, has been predicted, preferred sites have identified computationally. Moreover, it found that can easily diffuse monolayer moderate barriers 0.18 0.84 eV. The...
Direct seawater electrolysis is promising for sustainable hydrogen gas (H2) production. However, the chloride ions in lead to side reactions and corrosion, which result a low efficiency poor stability of electrocatalyst hinder use technology. Here we report corrosion-resistant RuMoNi electrocatalyst, situ-formed molybdate on its surface repel ions. The works stably over 3000 h at high current density 500 mA cm-2 alkaline electrolytes. Using catalyst an anion exchange membrane electrolyzer,...
Abstract To enable an efficient and cost‐effective electrocatalytic N 2 reduction reaction (NRR) the development of electrocatalyst with a high NH 3 yield good selectivity is required. In this work, Ti C T x MXene‐derived quantum dots (Ti QDs) abundant active sites NRR electrocatalysts. Given surface functional groups play key role on performance, density theory calculations are first conducted, clarifying that hydroxyl offer excellent activity. Accordingly, hydroxyl‐rich QDs OH synthesized...