A5044701012- Laser-Matter Interactions and Applications
- Advanced Fiber Laser Technologies
- Graphene research and applications
- Spectroscopy and Quantum Chemical Studies
- Advanced Chemical Physics Studies
- 2D Materials and Applications
- MXene and MAX Phase Materials
- Perovskite Materials and Applications
- Magnetic and transport properties of perovskites and related materials
- Spectroscopy and Laser Applications
- Electrocatalysts for Energy Conversion
- Mass Spectrometry Techniques and Applications
- Advanced Condensed Matter Physics
- Nanopore and Nanochannel Transport Studies
- Hydrogen Storage and Materials
- Advancements in Battery Materials
- Membrane Separation Technologies
- Boron and Carbon Nanomaterials Research
- Metal-Organic Frameworks: Synthesis and Applications
- Advanced Photocatalysis Techniques
- Advanced battery technologies research
- Covalent Organic Framework Applications
- Toxic Organic Pollutants Impact
- Fuel Cells and Related Materials
- Topological Materials and Phenomena
Nanjing University of Science and Technology
2016-2025
Nanjing Normal University
2025
Kunming University of Science and Technology
2024
Guangzhou Institute of Geochemistry
2022-2024
Chinese Academy of Sciences
2012-2024
Dalian Institute of Chemical Physics
2012-2024
Sichuan University
2024
University of Chinese Academy of Sciences
2022-2024
Applied Radar (United States)
2022
Waterborne Environmental (United States)
2022
Hi de hi-drogen: An extremely large hydrogen storage capacity is shown by Li-doped conjugated microporous polymers (CMP). These materials have an isosteric enthalpy of adsorption up to 8.1 kJ mol−1, and excellent 6.1 wt % was achieved at 77 K under ambient pressure 0.1 MPa (1 bar). Detailed facts importance specialist readers are published as "Supporting Information". Such documents peer-reviewed, but not copy-edited or typeset. They made available submitted the authors. Please note: The...
Abstract High‐performance electrocatalysts are desired for electrochemical energy conversion, especially in the field of water splitting. Here, a new member phosphate electrocatalysts, nickel metaphosphate (Ni 2 P 4 O 12 ) nanocrystals, is reported, exhibiting low overpotential 270 mV to generate current density 10 mA cm −2 and superior catalytic durability 100 h. It worth noting that Ni electrocatalyst has remarkable oxygen evolution performance operating basic media. Further experimental...
Since the first observation of odd and even high-order harmonics generated from ZnO crystals in 2011, dependence harmonic yields on orientation laser polarization with respect to crystal axis has never been properly interpreted. This failure traced lack a correct account phase transition dipole moment between valence band conduction band. Using simple one-dimensional two-band model, here we demonstrate that observed is directly related magnitude dipole, while dipole. Our result points out...
Selective hydrogenation of alkynes to alkenes plays a crucial role in the synthesis fine chemicals. However, how achieve high selectivity and effective separation catalyst substrate while obtaining activity is key for this reaction. In work, Pd single-atom anchored shell magnetic core-shell particles that consist Ni-nanoparticles core graphene sheets (Ni@G) semi-hydrogenation phenylacetylene, delivering 93% styrene at full conversion with robust turnover frequency 7074 h-1 under mild...
Abstract Lead halide perovskites with superior optoelectrical properties are emerging as a class of excellent materials for applications in solar cells and light‐emitting devices. However, perovskite films often exhibit abundant intrinsic defects, which can limit the efficiency perovskite‐based optoelectronic devices by acting carrier recombination centers. Thus, an understanding defect chemistry lead assumes prominent role further advancing exploitation perovskites, which, to large extent,...
A parallel quantum electron and nuclei wave packet computer code, LZH-DICP, has been developed to study laser-atom-molecule interaction in the nonperturbative regime with attosecond resolution. The nonlinear phenomena occurring that can be studied code a rigorous way by numerically solving time-dependent Schrödinger equation of electrons nuclei. Time propagation functions is performed using split-operator approach, based on sine discrete variable representation. Photoelectron spectra for...
Bilayer ZrS<sub>2</sub>-based vdW heterostructures are proposed as efficient photocatalysts for water splitting under visible light.
Oxygen vacancies and Fe–Ni alloy nanoparticles decorated on a perovskite backbone can boost the oxygen evolution activity of perovskites.
We carry out a combined theoretical and experimental investigation on the population distributions in ground excited states of tunnel-ionized nitrogen molecules at various driver wavelengths near- midinfrared range. Our results reveal that efficient couplings (i.e., exchanges) between N_{2}^{+}(X^{2}Σ_{g}^{+}) state N_{2}^{+}(A^{2}Π_{u}) N_{2}^{+}(B^{2}Σ_{u}^{+}) occur strong laser fields. The result inversion near 800 nm, which is verified by our observation amplification seed ∼391 nm....
Since the turn of new century, increasing demand for high-performance energy storage systems has generated considerable interest in rechargeable ion batteries.
The loss of sulfur in the cathode a lithium battery (LSB) severely hinders practical application LSBs, and so do insulativity S its lithiation end products. incorporation MXene can significantly improve performance LSBs; however, underlying mechanism at atomic scale has not been deeply explored. In present work, by using density functional theory calculations, we systemically studied interactions (poly)sulfides (Li2Sm) on Ti-based bare MXenes (TinXn–1) surface functionalized Ti2C with −F,...
We present a method of producing single attosecond pulses by using few-cycle (5 fs) driving pulse with two additional weak control pulses. discuss how produced from high-order harmonic generation processes in synthesized three-colour laser field are similar to those much shorter single-colour field. Based on the spectrum, classical ionizing and returning energy maps, time–frequency maps time profiles pulses, actions analogous 3 fs although some differences still exist, our is proved be...
Surface/interface design is one of the most significant and promising motivations to develop high-performance catalysts for electrolytic water splitting. Here, nature cytomembrane having effective functional surface structure mimicked fabricate a new configuration Ni-N-O porous interface nanoparticles (NiNO INPs) with strongly interacting nanointerface between Ni3 N NiO domains, enhancing electrocatalytic oxygen evolution reaction (OER) performance. The combination transmission electron...
Through systematic molecular dynamics simulations we theoretically investigate the potential applications of hexagonal boron nitride (h-BN) for seawater desalination. Our results indicate that rationally designed h-BN membranes have great permeability, selectivity, and controllability water The size chemistry pores are shown to play an important role in regulating flux salt rejection. Pores with only nitrogen atoms on edges higher fluxes than boron-lined pores. In particular, two-dimensional...
The introduction of the FeO<sub>x</sub>/FeP interface effect not only facilitates water adsorption and dissociation in neutral HER, but also modifies Δ<italic>G</italic>(<sub>H*</sub>) FeP, exhibiting remarkable catalytic activity with a Tafel slope as low 47 mV dec<sup>−1</sup>.
High-order harmonic spectra from solid materials driven by single-color multicycle laser fields sometimes contain even harmonics. In this work we attribute the appearance of harmonics to nonzero transition dipole phase (TDP) when system has broken symmetry. By calculating efficiency graphene and gapped using semiconductor Bloch equations under tight-binding approximation, demonstrate role TDP, which been ignored for a long time. When crystal inversion symmetry, or reflection symmetry with...
The unprecedented applications of two-dimensional (2D) atomic sheets in spintronics are formidably hindered by the lack ordered spin structures. Here we present first-principles calculations demonstrating that recently synthesized dimethylmethylene-bridged triphenylamine (DTPA) porous sheet is a ferromagnetic half-metal and size band gap semiconducting channel roughly 1 eV, which makes DTPA an ideal candidate for spin-selective conductor. In addition, robust half-metallicity 2D under...
The electronic properties of a graphene–boron nitride (G/BN) bilayer have been carefully investigated by first-principles calculations. We find that the energy gap graphene is tunable from 0 to 0.55 eV and sensitive stacking order interlayer distances G/BN bilayer. By structure analysis tight-binding simulations, we conclude charge redistribution within transfer between BN layers determine graphene, through modification on-site difference carbon p orbitals at two sublattices. On basis...
Recently, two-dimensional organic–inorganic perovskites have attracted increasing attention due to their unique photophysical properties and high stability. Here we report a lead-free, perovskite, (PEA)2GeI4 (PEA = C6H5(CH2)2NH3+). Structural characterization demonstrated that this 2D perovskite structure is formed with inorganic germanium iodide planes separated by organic PEAI layers. has direct band gap of 2.12 eV, in agreement 2.17 eV obtained density functional theory (DFT)...
Based on density functional theory (DFT), first-principles molecular dynamics (MD), and the grand canonical ensemble Monte Carlo (GCMC) method, we investigated boron substitution in aromatic rings of graphyne terms geometric electronic structures as well its bifunctional application including Li H2 storage. The calculated binding energies B-doped (BG) are significantly enhanced at two adsorptive sites compared to pristine graphyne, leading high lithiation potentials 2.7 V 6Li@1BG, even...