Computational mining of photocatalysts for water splitting hydrogen production: two-dimensional InSe-family monolayers

A CO monolayer: first-principles design of a new direct band-gap semiconductor with excellent mechanical properties

(2017) Zi-Wei Teng et al.   Nanoscale

Review of two-dimensional materials for photocatalytic water splitting from a theoretical perspective

(2017) Yunguo Li et al.   Catalysis Science & Technology

Strain-mediated type-I/type-II transition in MXene/Blue phosphorene van der Waals heterostructures for flexible optical/electronic devices

(2017) Zhonglu Guo et al.   Journal of Materials Chemistry C

Blue Phosphorene/MS2 (M = Nb, Ta) Heterostructures As Promising Flexible Anodes for Lithium-Ion Batteries

(2016) Qiong Peng et al.   ACS Applied Materials & Interfaces

Ab initio study of carrier mobility of few-layer InSe

(2016) Chong Sun et al.   Applied Physics Express

Electron Counting and a Large Family of Two-Dimensional Semiconductors

(2016) Mao-sheng Miao et al.   CHEMISTRY OF MATERIALS

A Honeycomb BeN2 Sheet with a Desirable Direct Band Gap and High Carrier Mobility

(2016) Cunzhi Zhang et al.   Journal of Physical Chemistry Letters

High electron mobility, quantum Hall effect and anomalous optical response in atomically thin InSe

(2016) Denis A. Bandurin et al.   Nature Nanotechnology

Mesoporous palladium–copper bimetallic electrodes for selective electrocatalytic reduction of aqueous CO2 to CO

(2016) Mu Li et al.   Journal of Materials Chemistry A

MXene: a promising photocatalyst for water splitting

(2016) Zhonglu Guo et al.   Journal of Materials Chemistry A

Electronic structures and enhanced optical properties of blue phosphorene/transition metal dichalcogenides van der Waals heterostructures

(2016) Qiong Peng et al.   Scientific Reports

Two-Dimensional Indium Selenides Compounds: An Ab Initio Study

(2015) L. Debbichi et al.   Journal of Physical Chemistry Letters

Computational Screening of 2D Materials for Photocatalysis

(2015) Arunima K. Singh et al.   Journal of Physical Chemistry Letters

Anisotropic Spin Transport and Strong Visible-Light Absorbance in Few-Layer SnSe and GeSe

(2015) Guangsha Shi et al.   NANO LETTERS

Piezoelectricity in two-dimensional group-III monochalcogenides

(2015) Wenbin Li et al.   Nano Research

The electronic origin of shear-induced direct to indirect gap transition and anisotropy diminution in phosphorene

(2015) Baisheng Sa et al.   NANOTECHNOLOGY

The electronic structure of quasi-free-standing germanene on monolayer MX (M = Ga, In; X = S, Se, Te)

(2015) Zeyuan Ni et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic properties of two-dimensional van der Waals GaS/GaSe heterostructures

(2015) Wei Wei et al.   Journal of Materials Chemistry C

Evolution of the Electronic Band Structure and Efficient Photo-Detection in Atomic Layers of InSe

(2014) Sidong Lei et al.   ACS Nano

Two-Dimensional Materials: 25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials (Adv. Mater. 7/2014)

(2014) Michael Naguib et al.   ADVANCED MATERIALS

Understanding TiO2 Photocatalysis: Mechanisms and Materials

(2014) Jenny Schneider et al.   CHEMICAL REVIEWS

Earth-abundant cocatalysts for semiconductor-based photocatalytic water splitting

(2014) Jingrun Ran et al.   CHEMICAL SOCIETY REVIEWS

Formation of H2O2 in TiO2 Photocatalysis of Oxygenated and Deoxygenated Aqueous Systems: A Probe for Photocatalytically Produced Hydroxyl Radicals

(2014) Veronica Diesen et al.   Journal of Physical Chemistry C

Design of High-Efficiency Visible-Light Photocatalysts for Water Splitting: MoS2/AlN(GaN) Heterostructures

(2014) Jiamin Liao et al.   Journal of Physical Chemistry C

Strain Engineering for Phosphorene: The Potential Application as a Photocatalyst

(2014) Baisheng Sa et al.   Journal of Physical Chemistry C

Electronic structure, optical properties, and lattice dynamics in atomically thin indium selenide flakes

(2014) Juan F. Sánchez-Royo et al.   Nano Research

Black phosphorus field-effect transistors

(2014) Likai Li et al.   Nature Nanotechnology

Electrons and phonons in single layers of hexagonal indium chalcogenides fromab initiocalculations

(2014) V. Zólyomi et al.   PHYSICAL REVIEW B

Wafer-Scale Growth of Single-Crystal Monolayer Graphene on Reusable Hydrogen-Terminated Germanium

(2014) J.-H. Lee et al.   SCIENCE

Two-dimensional flexible nanoelectronics

(2014) Deji Akinwande et al.   Nature Communications

Graphene-Like Two-Dimensional Materials

(2013) Mingsheng Xu et al.   CHEMICAL REVIEWS

Single-Layer Group-III Monochalcogenide Photocatalysts for Water Splitting

(2013) Houlong L. Zhuang et al.   CHEMISTRY OF MATERIALS

Anion–Anion Mediated Coupling in Layered Perovskite La2Ti2O7 for Visible Light Photocatalysis

(2013) Peng Liu et al.   Journal of Physical Chemistry C

Computational Search for Single-Layer Transition-Metal Dichalcogenide Photocatalysts

(2013) Houlong L. Zhuang et al.   Journal of Physical Chemistry C

Highly Responsive Ultrathin GaS Nanosheet Photodetectors on Rigid and Flexible Substrates

(2013) PingAn Hu et al.   NANO LETTERS

High-fidelity readout and control of a nuclear spin qubit in silicon

(2013) Jarryd J. Pla et al.   NATURE

The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets

(2013) Manish Chhowalla et al.   Nature Chemistry

Quasiparticle band structures and optical properties of strained monolayer MoS2and WS2

(2013) Hongliang Shi et al.   PHYSICAL REVIEW B

Optical Spectrum ofMoS2: Many-Body Effects and Diversity of Exciton States

(2013) Diana Y. Qiu et al.   PHYSICAL REVIEW LETTERS

Single-layer MoS2 as an efficient photocatalyst

(2013) Yunguo Li et al.   Catalysis Science & Technology

Two-Dimensional Transition Metal Carbides

(2012) Michael Naguib et al.   ACS Nano

Synthesis of Few-Layer GaSe Nanosheets for High Performance Photodetectors

(2012) PingAn Hu et al.   ACS Nano

A Theoretical Study of Water Adsorption and Decomposition on the Low-Index Stoichiometric Anatase TiO2 Surfaces

(2012) Zongyan Zhao et al.   Journal of Physical Chemistry C

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

(2012) Qing Hua Wang et al.   Nature Nanotechnology

Large excitonic effects in monolayers of molybdenum and tungsten dichalcogenides

(2012) Ashwin Ramasubramaniam   PHYSICAL REVIEW B

Atomically ThinMoS2: A New Direct-Gap Semiconductor

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

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B