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

Two-dimensional van der Waals electrical contact to monolayer MoSi2N4

(2021) Liemao Cao et al.   APPLIED PHYSICS LETTERS

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

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

High intrinsic lattice thermal conductivity in monolayer MoSi2N4

(2021) Jihai Yu et al.   NEW JOURNAL OF PHYSICS

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

(2021) Minglei Sun et al.   Advanced Energy Materials

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

(2021) Zhen Cui et al.   SUPERLATTICES AND MICROSTRUCTURES

Adjustable electro-optical properties of novel graphene-like SiC2 via strain engineering

(2021) Huabing Shu   APPLIED SURFACE SCIENCE

B2P6: A Two-Dimensional Anisotropic Janus Material with Potential in Photocatalytic Water Splitting and Metal-Ion Batteries

(2020) Minglei Sun et al.   CHEMISTRY OF MATERIALS

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

Janus XSSe/SiC (X = Mo, W) van der Waals heterostructures as promising water-splitting photocatalysts

(2020) Zhen Cui 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

Chemical vapor deposition of layered two-dimensional MoSi2N4 materials

(2020) Yi-Lun Hong et al.   SCIENCE

A MoSSe/blue phosphorene vdw heterostructure with energy conversion efficiency of 19.9% for photocatalytic water splitting

(2020) Yi Luo et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

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

Enhanced magnetic sensing performance of diamond MEMS magnetic sensor with boron-doped FeGa film

(2020) Zilong Zhang et al.   CARBON

Adsorbed of toxic gas molecules (CO, H2S, and NO) on alkali-metal-doped g-GaN monolayer

(2020) Yanpeng Zheng et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Exceptional piezoelectricity, high thermal conductivity and stiffness and promising photocatalysis in two-dimensional MoSi2N4 family confirmed by first-principles

(2020) Bohayra Mortazavi et al.   Nano Energy

First-principles calculations of aluminium nitride monolayer with chemical functionalization

(2019) Sake Wang et al.   APPLIED SURFACE SCIENCE

Point Defects in Blue Phosphorene

(2019) Minglei Sun et al.   CHEMISTRY OF MATERIALS

Molecular doping of blue phosphorene: a first-principles investigation

(2019) Minglei Sun et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

First-principles investigation on electronic properties and band alignment of group III monochalcogenides

(2019) Chongdan Ren et al.   Scientific Reports

Magnetic Behaviors of 3d Transition Metal-Doped Silicane: a First-Principle Study

(2018) Sake Wang et al.   Journal of Superconductivity and Novel Magnetism

MoS2/ZnO van der Waals heterostructure as a high-efficiency water splitting photocatalyst: a first-principles study

(2018) Sake Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles calculations of the electronic properties of SiC-based bilayer and trilayer heterostructures

(2018) Song Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic and optical properties of heterostructures based on transition metal dichalcogenides and graphene-like zinc oxide

(2018) Sake Wang et al.   Scientific Reports

Ultrahigh Performance On-Chip Single Crystal Diamond NEMS/MEMS with Electrically Tailored Self-Sensing Enhancing Actuation

(2018) Meiyong Liao et al.   Advanced Materials Technologies

Transition metal doped puckered arsenene: Magnetic properties and potential as a catalyst

(2018) Yi Luo et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Weak C–H⋯F–C hydrogen bonds make a big difference in graphane/fluorographane and fluorographene/fluorographane bilayers

(2017) Minglei Sun et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic properties of blue phosphorene/graphene and blue phosphorene/graphene-like gallium nitride heterostructures

(2017) Minglei Sun et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effects of structural imperfection on the electronic properties of graphene/WSe2 heterostructures

(2017) Minglei Sun et al.   Journal of Materials Chemistry C

Formation of arsenene p–n junctions via organic molecular adsorption

(2017) N. Gao et al.   Journal of Materials Chemistry C

Gate-Tunable Dirac Point of Molecular Doped Graphene

(2016) Pablo Solís-Fernández et al.   ACS Nano

Halogenated arsenenes as Dirac materials

(2016) Wencheng Tang et al.   APPLIED SURFACE SCIENCE

Modulating Carrier Density and Transport Properties of MoS2 by Organic Molecular Doping and Defect Engineering

(2016) Yongqing Cai et al.   CHEMISTRY OF MATERIALS

Magnetism in transition-metal-doped germanene: A first-principles study

(2016) Minglei Sun et al.   COMPUTATIONAL MATERIALS SCIENCE

Magnetism in transition metal-substituted germanane: A search for room temperature spintronic devices

(2016) Minglei Sun et al.   JOURNAL OF APPLIED PHYSICS

Electronic properties of Janus silicene: new direct band gap semiconductors

(2016) Minglei Sun et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Electronic and magnetic behaviors of graphene with 5d series transition metal atom substitutions: A first-principles study

(2016) Minglei Sun et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Controlled Doping of Large-Area Trilayer MoS2with Molecular Reductants and Oxidants

(2015) Alexey Tarasov et al.   ADVANCED MATERIALS

A First-Principles Study on Electron Donor and Acceptor Molecules Adsorbed on Phosphorene

(2015) Ruiqi Zhang et al.   Journal of Physical Chemistry C

Surface Charge Transfer Doping of Monolayer Phosphorene via Molecular Adsorption

(2015) Yuanyuan He et al.   Journal of Physical Chemistry Letters

An atlas of two-dimensional materials

(2014) Pere Miró et al.   CHEMICAL SOCIETY REVIEWS

Molecular Doping and Band-Gap Opening of Bilayer Graphene

(2013) Alexander J. Samuels et al.   ACS Nano

Theoretical Study of the Interaction of Electron Donor and Acceptor Molecules with Graphene

(2013) Tao Hu et al.   Journal of Physical Chemistry C

Energy Level Alignment and Charge Carrier Mobility in Noncovalently Functionalized Graphene

(2013) Liping Chen et al.   Journal of Physical Chemistry Letters

Tailoring Electronic Properties of Graphene by π–π Stacking with Aromatic Molecules

(2011) Zengxing Zhang et al.   Journal of Physical Chemistry Letters

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