Structural, electronic, and electromechanical properties of MoSSe/blue phosphorene heterobilayer

Strain Enhanced Visible-Ultraviolet Absorption of Blue Phosphorene/MoX2 (X = S,Se) Heterolayers

(2019) Di Gu et al.   Physica Status Solidi-Rapid Research Letters

First-principles study of square phase MX2 and Janus MXY (M=Mo, W; X, Y=S, Se, Te) transition metal dichalcogenide monolayers under biaxial strain

(2019) Yunzhen Zhang et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

On the elasticity and piezoelectricity of black(blue) phosphorus/ZnO van der Waals heterostructures

(2019) Xiaobao Li et al.   COMPUTATIONAL MATERIALS SCIENCE

Band Gap Modulated by Electronic Superlattice in Blue Phosphorene

(2018) Jincheng Zhuang et al.   ACS Nano

Phonon transport in Janus monolayer MoSSe: a first-principles study

(2018) San-Dong Guo   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tuning electronic, magnetic, and transport properties of blue phosphorene by substitutional doping: a first-principles study

(2018) Fatemeh Safari et al.   Journal of Computational Electronics

Tunable dipole and carrier mobility for a few layer Janus MoSSe structure

(2018) Wen-Jin Yin et al.   Journal of Materials Chemistry C

Bandgap tuning in MoSSe bilayers: synergistic effects of dipole moment and interlayer distance

(2018) Chanjuan Shang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Recent progress on graphene-analogous 2D nanomaterials: properties, modeling and applications

(2018) Bo Liu et al.   PROGRESS IN MATERIALS SCIENCE

Recent Progress of Janus 2D Transition Metal Chalcogenides: From Theory to Experiments

(2018) Ruiping Li et al.   Small

Large Piezoelectric Response of van der Waals Layered Solids

(2018) Sukriti Manna et al.   Journal of Materials Chemistry C

Structural and electronic properties of III-nitride nanoribbons

(2018) Xiaobao Li et al.   JOURNAL OF APPLIED PHYSICS

Tribo-piezoelectricity in Janus transition metal dichalcogenide bilayers: A first-principles study

(2018) Haifang Cai et al.   Nano Energy

Efficient Carrier Separation in Graphitic Zinc Oxide and Blue Phosphorus van der Waals Heterostructure

(2017) Xianghong Niu et al.   Journal of Physical Chemistry C

Advanced capabilities for materials modelling with Quantum ESPRESSO

(2017) P Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Recent progress in van der Waals heterojunctions

(2017) Wanshun Xia et al.   Nanoscale

Twisted MX2/MoS2 heterobilayers: effect of van der Waals interaction on the electronic structure

(2017) Ning Lu et al.   Nanoscale

Janus monolayers of transition metal dichalcogenides

(2017) Ang-Yu Lu et al.   Nature Nanotechnology

Piezoelectricity in two-dimensional group III-V buckled honeycomb monolayers

(2017) Ruilong Gao et al.   Physica Status Solidi-Rapid Research Letters

Enhanced piezoelectricity of monolayer phosphorene oxides: a theoretical study

(2017) Huabing Yin 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

Two-dimensional van der Waals heterojunctions for functional materials and devices

(2017) Wei Hu et al.   Journal of Materials Chemistry C

Two-dimensional heterostructures for energy storage

(2017) Ekaterina Pomerantseva et al.   Nature Energy

Determination of band offsets, hybridization, and exciton binding in 2D semiconductor heterostructures

(2017) Neil R. Wilson et al.   Science Advances

Epitaxial Growth of Single Layer Blue Phosphorus: A New Phase of Two-Dimensional Phosphorus

(2016) Jia Lin Zhang et al.   NANO LETTERS

First-principles study of thermal expansion and thermomechanics of single-layer black and blue phosphorus

(2016) Hongyi Sun et al.   PHYSICS LETTERS A

Rise of silicene: A competitive 2D material

(2016) Jijun Zhao et al.   PROGRESS IN MATERIALS SCIENCE

Performance analysis of uniaxially strained monolayer black phosphorus and blue phosphorus n-MOSFET and p-MOSFET

(2016) L. Banerjee et al.   Journal of Computational Electronics

Ab Initio Prediction of Piezoelectricity in Two-Dimensional Materials

(2015) Michael N. Blonsky et al.   ACS Nano

Phosphorene: Fabrication, Properties, and Applications

(2015) Liangzhi Kou et al.   Journal of Physical Chemistry Letters

Flexoelectricity in two-dimensional crystalline and biological membranes

(2015) Fatemeh Ahmadpoor et al.   Nanoscale

Recent development in 2D materials beyond graphene

(2015) Ankur Gupta et al.   PROGRESS IN MATERIALS SCIENCE

Innovation and discovery of graphene-like materials via density-functional theory computations

(2015) Qing Tang et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Phosphorene: what can we know from computations?

(2015) Yu Jing et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Black Phosphorus–Monolayer MoS2 van der Waals Heterojunction p–n Diode

(2014) Yexin Deng et al.   ACS Nano

Piezoelectricity of single-atomic-layer MoS2 for energy conversion and piezotronics

(2014) Wenzhuo Wu et al.   NATURE

Black phosphorus field-effect transistors

(2014) Likai Li et al.   Nature Nanotechnology

Semiconducting Layered Blue Phosphorus: A Computational Study

(2014) Zhen Zhu et al.   PHYSICAL REVIEW LETTERS

High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus

(2014) Jingsi Qiao et al.   Nature Communications

Spin-orbit–induced spin splittings in polar transition metal dichalcogenide monolayers

(2013) Y. C. Cheng et al.   EPL

Coaxing graphene to be piezoelectric

(2012) Swapnil Chandratre et al.   APPLIED PHYSICS LETTERS

Intrinsic Piezoelectricity in Two-Dimensional Materials

(2012) Karel-Alexander N. Duerloo et al.   Journal of Physical Chemistry Letters

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

(2012) Qing Hua Wang et al.   Nature Nanotechnology

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Atomically ThinMoS2: A New Direct-Gap Semiconductor

(2010) Kin Fai Mak et al.   PHYSICAL REVIEW LETTERS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes

(2009) Guillermo Román-Pérez et al.   PHYSICAL REVIEW LETTERS

Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases

(2008) Vincenzo Barone et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY