A5075861655- Graphene research and applications
- 2D Materials and Applications
- Boron and Carbon Nanomaterials Research
- MXene and MAX Phase Materials
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Electronic and Structural Properties of Oxides
- Multiferroics and related materials
- ZnO doping and properties
- Perovskite Materials and Applications
- Phenothiazines and Benzothiazines Synthesis and Activities
- Advancements in Battery Materials
- Magnetic and transport properties of perovskites and related materials
- Synthesis and biological activity
- Topological Materials and Phenomena
- Chalcogenide Semiconductor Thin Films
- Synthesis and Biological Evaluation
- Advanced Condensed Matter Physics
- Semiconductor materials and devices
- Quinazolinone synthesis and applications
- Quantum Dots Synthesis And Properties
- Fuel Cells and Related Materials
- Carbon Nanotubes in Composites
- Fiber-reinforced polymer composites
- Electrocatalysts for Energy Conversion
Nantong University
2017-2025
Nantong Science and Technology Bureau
2019-2020
Northeast Agricultural University
2012-2015
Nanjing University of Science and Technology
2015
Shaanxi Normal University
2013-2015
Heterojunctions have received much interest as a way to improve semiconductors' electrical and optical properties. The impact of the interface on properties g-C3N4/SnS2 was explored using first-principles calculations in this study. results show that, at hetero-interface, conventional type-II band forms, resulting lower gap than that g-C3N4 SnS2 monolayers. When there is no high barrier height, averaged microscopic macroscopic potentials can be used accomplish efficient carrier...
Using first-principles calculations, we investigate the structural, electronic, and magnetic properties of perovskite LaMO3/YMO3 superlattices (M = Cr, Mn, Co Ni). It is found that ferroelectricity can emerge in Co), allowing them to be promising multiferroic candidates, while no LaNiO3/YNiO3 superlattice. The electronic structure calculations indicate LaCrO3/YCrO3, LaMnO3/YMnO3, LaCoO3/YCoO3 are insulators, their ground states exhibit G-type antiferromagnetic (AFM), A-type AFM, AFM order,...
Abstract An easy synthetic route to N -dichloroacetyl-3,4-dihydro-2 H -1,4-benzoxazine derivatives 3 involves cyclization of 2-aminophenols 1 with 1,2-dibromoethane and subsequent acylation the resultant 3,4-dihydro-2 2 dichloroacetyl chloride. All compounds were characterized by IR, NMR, 13 C ESI-MS elemental analysis. The structure 3a was determined X-ray crystallographic
We report first-principles calculations on the structural, mechanical, and electronic properties of O2 molecule adsorption different graphenes (including pristine graphene (G–O2), N(nitrogen)/B(boron)-doped (G–N/B–O2), defective (G–D–O2)) under equibiaxial strain. Our calculation results reveal that G–D–O2 possesses highest binding energy, indicating it owns stability. Moreover, stabilities four structures are enhanced enormously by compressive strain larger than 2%. In addition, band gaps...
Boron nitride structures have excellent thermal and chemical stabilities. Based on state-of-art theoretical calculations, we propose a wide-gap semiconducting BN crystal with three-dimensional hyperhoneycomb structure (Hp-BN), which is both mechanically thermodynamically stable. Our calculated results show that Hp-BN has higher bulk modulus smaller energy gap as compared to c-BN. Moreover, due the unique bonding structure, exhibits anisotropic electronic optical properties. It great...
It is known that rare-earth manganites LnMnO<sub>3</sub>with Ln = La to Gd are typical Mott insulators favoring the A-type antiferromagnetic (A-AFM) state.
We investigate mechanical, structural and electronic properties of CO2 adsorbed graphitic carbon nitride (g-C3N4) system under biaxial tensile strain via first-principles calculations. The results show that the stress g-C3N4 increases then decreases linearly with increasing strain, reaching maximum at 0.12 strain. This is primarily caused by plane N–C stretching g-C3N4. Furthermore, both Perdew-Burke-Ernzerhof (PBE) Heyd- Scuseria-Ernzerhof screened hybrid functional (HSE06) band gaps...
A two-step sequence was developed for synthesising different disubstituted 6,7-dichloro-1,2,3,4-tetrahydroquinoxalines without blocking the reactive centres. N-dichloroacetyl-6,7-dichloro-1,2,3,4-tetrahydroquinoxaline prepared from 6,7-dichloro-1,2,3,4-tetrahydroquinoxaline and dichloroacetyl chloride giving N-acyl-N′-dichloroacetyl-6,7-dichloro-1,2,3,4-tetrahydroquinoxalines. The structures of all compounds were characterised by IR, 1 H NMR, 13 C elemental analysis. structure determined...
There exists red-shifted absorption in M@GaTeCl relative to GaTeCl monolayer, which enhanced the visible light absorption.
Boron nitride structures have excellent thermal and chemical stabilities. Based on state-of-art theoretical calculations, we propose a wide gap semiconducting BN crystal with three-dimensional hyperhoneycomb structure (Hp-BN), which is both mechanically thermodynamically stable. Our calculated results show that Hp-BN has higher bulk modulus smaller energy as compared to c-BN. Moreover, due the unique bonding structure, exhibits anisotropic electronic optical properties. It great adsorption...