Computational Study of Novel Semiconducting Sc2CT2 (T = F, Cl, Br) MXenes for Visible-Light Photocatalytic Water Splitting

Visible-Light-Induced Photocatalytic Activity of Stacked MXene Sheets of Y2CF2

(2020) Kazuhiko Maeda et al.   Journal of Physical Chemistry C

Two-dimensional (Zr0.5Hf0.5)2CO2: A promising visible light water-splitting photocatalyst with efficiently carrier separation

(2020) Yinggan Zhang et al.   COMPUTATIONAL MATERIALS SCIENCE

ALKEMIE: An intelligent computational platform for accelerating materials discovery and design

(2020) Guanjie Wang et al.   COMPUTATIONAL MATERIALS SCIENCE

2D Superlattices for Efficient Energy Storage and Conversion

(2019) Pan Xiong et al.   ADVANCED MATERIALS

Synthesis and Electronic Structure of a 3D Crystalline Stack of MXene-Like Sheets

(2019) Daniel L. Druffel et al.   CHEMISTRY OF MATERIALS

2D Intrinsic Ferromagnets from van der Waals Antiferromagnets

(2018) Naihua Miao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Interlayer-Decoupled Sc-Based Mxene with High Carrier Mobility and Strong Light-Harvesting Ability

(2018) Liujiang Zhou et al.   Journal of Physical Chemistry Letters

Two-dimensional multilayer M2CO2 (M = Sc, Zr, Hf) as photocatalysts for hydrogen production from water splitting: a first principles study

(2017) Cen-Feng Fu et al.   Journal of Materials Chemistry A

Electronic properties and applications of MXenes: a theoretical review

(2017) Mohammad Khazaei et al.   Journal of Materials Chemistry C

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

2D metal carbides and nitrides (MXenes) for energy storage

(2017) Babak Anasori et al.   Nature Reviews Materials

Titania Composites with 2 D Transition Metal Carbides as Photocatalysts for Hydrogen Production under Visible-Light Irradiation

(2016) Hui Wang et al.   ChemSusChem

Electromagnetic interference shielding with 2D transition metal carbides (MXenes)

(2016) F. Shahzad et al.   SCIENCE

Computational studies on the structural, electronic and optical properties of graphene-like MXenes (M2CT2, M = Ti, Zr, Hf; T = O, F, OH) and their potential applications as visible-light driven photocatalysts

(2016) Haijun Zhang et al.   Journal of Materials Chemistry A

MXene: a promising photocatalyst for water splitting

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

Computational Screening of 2D Materials for Photocatalysis

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

Recent advances in MXene: Preparation, properties, and applications

(2015) Jin-Cheng Lei et al.   Frontiers of Physics

Nitrogen-Doped Titanium Dioxide as Visible-Light-Sensitive Photocatalyst: Designs, Developments, and Prospects

(2014) Ryoji Asahi et al.   CHEMICAL REVIEWS

Earth-abundant cocatalysts for semiconductor-based photocatalytic water splitting

(2014) Jingrun Ran et al.   CHEMICAL SOCIETY REVIEWS

Strain Engineering for Phosphorene: The Potential Application as a Photocatalyst

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

Unique Lead Adsorption Behavior of Activated Hydroxyl Group in Two-Dimensional Titanium Carbide

(2014) Qiuming Peng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Redox shuttle mechanism enhances photocatalytic H 2 generation on Ni-decorated CdS nanorods

(2014) Thomas Simon et al.   NATURE MATERIALS

25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials

(2013) Michael Naguib et al.   ADVANCED MATERIALS

Cation Intercalation and High Volumetric Capacitance of Two-Dimensional Titanium Carbide

(2013) M. R. Lukatskaya et al.   SCIENCE

A zero-strain layered metal oxide as the negative electrode for long-life sodium-ion batteries

(2013) Yuesheng Wang et al.   Nature Communications

Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides

(2012) Mohammad Khazaei et al.   ADVANCED FUNCTIONAL MATERIALS

ZnO–GaN heterostructured nanosheets for solar energy harvesting: computational studies based on hybrid density functional theory

(2012) Haijun Zhang et al.   Journal of Materials Chemistry A

Increasing Solar Absorption for Photocatalysis with Black Hydrogenated Titanium Dioxide Nanocrystals

(2011) X. Chen et al.   SCIENCE

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

Hybrid functionals applied to extended systems

(2008) M Marsman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B