Toxic gas molecules adsorbed on intrinsic and defective WS2: gas sensing and detection

Theoretical Study on Electronic, Magnetic and Optical Properties of Non-Metal Atoms Adsorbed onto Germanium Carbide

(2022) Lin Zhang et al.   Nanomaterials

Penta-BeP2 Monolayer: A Superior Sensor for Detecting Toxic Gases in the Air with Excellent Sensitivity, Selectivity, and Reversibility

(2022) Xingang Jiang et al.   ACS Applied Materials & Interfaces

Electronic, Magnetic, and Optical Properties of Metal Adsorbed g-ZnO Systems

(2022) Yang Shen et al.   Frontiers in Chemistry

Fabrication of a g-C3N4/MoS2 photocatalyst for enhanced RhB degradation

(2022) Zhen Cui et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Adsorption of metal atoms on MoSi2N4 monolayer: A first principles study

(2022) Zhen Cui et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Unique Omnidirectional Negative Poisson’s Ratio in δ-Phase Carbon Monochalcogenides

(2021) Minglei Sun et al.   Journal of Physical Chemistry C

Structure Prototype Outperforming MXenes in Stability and Performance in Metal‐Ion Batteries: A High Throughput Study

(2021) Minglei Sun et al.   Advanced Energy Materials

Enhanced fast response to Hg0 by adsorption-induced electronic structure evolution of Ti2C nanosheet

(2021) Tao Yang et al.   APPLIED SURFACE SCIENCE

Electronic, magnetism and optical properties of transition metals adsorbed puckered arsenene

(2021) Zhen Cui et al.   SUPERLATTICES AND MICROSTRUCTURES

Ultrahigh Carrier Mobility in the Two-Dimensional Semiconductors B8Si4, B8Ge4, and B8Sn4

(2021) Minglei Sun et al.   CHEMISTRY OF MATERIALS

Design of p–p heterojunctions based on CuO decorated WS2 nanosheets for sensitive NH3 gas sensing at room temperature

(2021) Hanyu Luo et al.   NANOTECHNOLOGY

First-principles calculations to explore the oxygen effects on WS2 film in marine environments

(2021) Meng Wang et al.   APPLIED SURFACE SCIENCE

VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code

(2021) Vei Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Tuning the electronic properties of MoSi2N4 by molecular doping: A first principles investigation

(2021) Zhen Cui et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Heterobilayer CaS/CaSe: A promising sensor for environmental toxic NO2 gas with high selectivity and sensitivity

(2020) Kaptan Rajput et al.   APPLIED SURFACE SCIENCE

Beryllene: A Promising Anode Material for Na- and K-Ion Batteries with Ultrafast Charge/Discharge and High Specific Capacity

(2020) Minglei Sun et al.   Journal of Physical Chemistry Letters

Effect of biaxial strain on thermal transport in WS2 monolayer from first principles calculations

(2020) Dan Han et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Noncovalently functionalization of Janus MoSSe monolayer with organic molecules

(2020) Zhen Cui et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Electronic and optical characteristics of GaS/g-C3N4 van der Waals heterostructures: Effects of biaxial strain and vertical electric field

(2020) Kaifei Bai et al.   VACUUM

δ-CS: A Direct-Band-Gap Semiconductor Combining Auxeticity, Ferroelasticity, and Potential for High-Efficiency Solar Cells

(2020) Minglei Sun et al.   Physical Review Applied

Evidence of direct Z-scheme g-C3N4/WS2 nanocomposite under interfacial coupling: First-principles study

(2019) Xinguo Ma et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Electronic and optical properties of van der Waals heterostructures of g-GaN and transition metal dichalcogenides

(2019) Zhen Cui et al.   APPLIED SURFACE SCIENCE

Interface engineered WS2/ZnS heterostructures for sensitive and reversible NO2 room temperature sensing

(2019) Yutong Han et al.   SENSORS AND ACTUATORS B-CHEMICAL

Adsorption behavior of graphene-like ZnO monolayer with oxygen vacancy defects for NO2: A DFT study

(2019) Haixia Chen et al.   SUPERLATTICES AND MICROSTRUCTURES

Sensing mechanism of Sb, S doped SnO2 (1 1 0) surface for CO

(2019) Wei Li et al.   APPLIED SURFACE SCIENCE

The gas sensing performance of borophene/MoS2 heterostructure

(2019) Jiale Shen et al.   APPLIED SURFACE SCIENCE

Two-dimensional metal carbide comrade for tracing CO and CO2

(2019) Basant Roondhe et al.   APPLIED SURFACE SCIENCE

Co-modulation of graphene by N hetero-doping &vacancy defects and the effect on NO2 adsorption and sensing: First-principles study

(2019) Yuxiang Qin et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Ultrasensitive room temperature NO2 sensors based on liquid phase exfoliated WSe2 nanosheets

(2019) Rensong Guo et al.   SENSORS AND ACTUATORS B-CHEMICAL

Electronic, magnetism, and optical properties of transition metals adsorbed g-GaN

(2019) Zhen Cui et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Design of Hetero-Nanostructures on MoS2 Nanosheets To Boost NO2 Room-Temperature Sensing

(2018) Yutong Han et al.   ACS Applied Materials & Interfaces

Superior Selectivity and Sensitivity of C3N Sensor in Probing Toxic Gases NO2 and SO2

(2018) Heping Cui et al.   IEEE ELECTRON DEVICE LETTERS

Enhanced ferromagnetism in WS2 via defect engineering

(2018) Xiang Ding et al.   JOURNAL OF ALLOYS AND COMPOUNDS

NO2 sensing properties of one-pot-synthesized ZnO nanowires with Pd functionalization

(2018) Xiangxiang Chen et al.   SENSORS AND ACTUATORS B-CHEMICAL

Prediction of electronic structure of van der Waals interfaces: Benzene adsorbed monolayer MoS 2 , WS 2 and WTe 2

(2017) Baiqing You et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Engineering of the interactions of volatile organic compounds with MoS2

(2017) Xiao-Qing Tian et al.   Journal of Materials Chemistry C

2D transition metal dichalcogenides

(2017) Sajedeh Manzeli et al.   Nature Reviews Materials

Defect-Induced Photoluminescence in Monolayer Semiconducting Transition Metal Dichalcogenides

(2015) Philippe K. Chow et al.   ACS Nano

Giant piezoelectricity of monolayer group IV monochalcogenides: SnSe, SnS, GeSe, and GeS

(2015) Ruixiang Fei et al.   APPLIED PHYSICS LETTERS

Mechanism of charge transfer and its impacts on Fermi-level pinning for gas molecules adsorbed on monolayer WS2

(2015) Changjie Zhou et al.   JOURNAL OF CHEMICAL PHYSICS

Energetics, Charge Transfer, and Magnetism of Small Molecules Physisorbed on Phosphorene

(2015) Yongqing Cai et al.   Journal of Physical Chemistry C

Functionalization of Transition Metal Dichalcogenides with Metallic Nanoparticles: Implications for Doping and Gas-Sensing

(2015) Deblina Sarkar et al.   NANO LETTERS

Electrical and optical characterization of atomically thin WS2

(2013) Thanasis Georgiou et al.   DALTON TRANSACTIONS

Mesoporous materials as gas sensors

(2012) Thorsten Wagner et al.   CHEMICAL SOCIETY REVIEWS

First-principles study of strained 2D MoS2

(2012) E. Scalise et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Intrinsic spin Hall effect in monolayers of group-VI dichalcogenides: A first-principles study

(2012) Wanxiang Feng et al.   PHYSICAL REVIEW B

Metal–Organic Framework Materials as Chemical Sensors

(2011) Lauren E. Kreno et al.   CHEMICAL REVIEWS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Massive volcanic SO2 oxidation and sulphate aerosol deposition in Cenozoic North America

(2010) Huiming Bao et al.   NATURE

Conducting polymer nanomaterials: electrosynthesis and applications

(2009) Chun Li et al.   CHEMICAL SOCIETY REVIEWS

Adsorption of Gas Molecules on Graphene Nanoribbons and Its Implication for Nanoscale Molecule Sensor

(2008) Bing Huang et al.   Journal of Physical Chemistry C

Adsorption ofH2O,NH3, CO,NO2, and NO on graphene: A first-principles study

(2008) O. Leenaerts et al.   PHYSICAL REVIEW B

Human health effects of air pollution

(2007) Marilena Kampa et al.   ENVIRONMENTAL POLLUTION