First-principles study of structural, electronic and magnetic properties of transition metal doped Sc2CF2 MXene

Strain-tunable electronic and optical properties of Zr2CO2 MXene and MoSe2 van der Waals heterojunction: A first principles calculation

(2021) Xiao-Hong Li et al.   APPLIED SURFACE SCIENCE

The effect of vacancy defect on quantum capacitance, electronic and magnetic properties of Sc 2 CF 2 monolayer

(2021) Xing‐Hao Cui et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Switching Behavior of a Heterostructure Based on Periodically Doped Graphene Nanoribbon

(2021) Sake Wang et al.   Physical Review Applied

MnCo2S4 – MXene: A novel hybrid electrode material for high performance long-life asymmetric supercapattery

(2021) K. Nasrin et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Nitrogen‐Doped Ti 3 C 2 MXene: Mechanism Investigation and Electrochemical Analysis

(2020) Chengjie Lu et al.   ADVANCED FUNCTIONAL MATERIALS

Transition metal atoms implanted into MXenes (M2CO2) for enhanced electrocatalytic hydrogen evolution reaction

(2020) Zhenhua Chen et al.   APPLIED SURFACE SCIENCE

Two-dimensional Spinel Structured Co-based Materials for High Performance Supercapacitors: A Critical Review

(2020) Xun Zhao et al.   CHEMICAL ENGINEERING JOURNAL

Air‐Stable Low‐Symmetry Narrow‐Bandgap 2D Sulfide Niobium for Polarization Photodetection

(2020) Yang Wang et al.   ADVANCED MATERIALS

Circular dichroism of doped carbon nanotubes

(2020) Riichiro Saito et al.   JOURNAL OF APPLIED PHYSICS

A comprehensive computational and experimental analysis of stable ferromagnetism in layered 2D Nb-doped Ti3C2 MXene

(2020) Jameela Fatheema et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

M-Site Vacancy-Mediated Adsorption and Diffusion of Sodium on Ti2CO2 MXene

(2020) Tairan Wang et al.   Journal of Physical Chemistry C

A systematic study on the electronic structure of 3d, 4d, and 5d transition metal-doped WSe2 monolayer

(2020) Sayantika Chowdhury et al.   SUPERLATTICES AND MICROSTRUCTURES

First-principles study of structural, electronic and optical properties of doped Ti2CF2 MXenes

(2019) Rui-Zhou Zhang et al.   PHYSICA B-CONDENSED MATTER

Strain-induced band modulation of surface F-functionalized two-dimensional Sc2C

(2019) Xiao-Hong Li et al.   APPLIED SURFACE SCIENCE

Bioinspired functionalization of MXenes (Ti3C2TX) with amino acids for efficient removal of heavy metal ions

(2019) Defu Gan et al.   APPLIED SURFACE SCIENCE

Pressure-induced band engineering, work function and optical properties of surface F-functionalized Sc2C MXene

(2019) Xiao-Hong Li et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Machine-Learning-Assisted Accurate Band Gap Predictions of Functionalized MXene

(2018) Arunkumar Chitteth Rajan et al.   CHEMISTRY OF MATERIALS

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

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

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

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

Carbon vacancies in Ti2CT2 MXenes: defects or a new opportunity?

(2017) Tao Hu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Strain engineering of electronic structures and photocatalytic responses of MXenes functionalized by oxygen

(2017) S. A. Khan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

MXene: an emerging two-dimensional material for future energy conversion and storage applications

(2017) Nitin K. Chaudhari et al.   Journal of Materials Chemistry A

Band gap modification in doped MXene: Sc2CF2

(2017) Erdem Balcı et al.   Journal of Materials Chemistry C

Transition metal doped arsenene: A first-principles study

(2016) Minglei Sun et al.   APPLIED SURFACE SCIENCE

Metallic impurities induced electronic transport in WSe 2 : First-principle calculations

(2016) Hongping Li et al.   CHEMICAL PHYSICS LETTERS

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

(2016) Minglei Sun et al.   COMPUTATIONAL MATERIALS SCIENCE

Investigation of magnetic and electronic properties of transition metal doped Sc2CT2 (T = O, OH or F) using a first principles study

(2016) Jianhui Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High adsorption capacity of heavy metals on two-dimensional MXenes: an ab initio study with molecular dynamics simulation

(2016) Xun Guo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A DFT study of phenol adsorption on a low doping Mn–Ce composite oxide model

(2015) Oriana D́Alessandro et al.   APPLIED SURFACE SCIENCE

A first-principles study of light non-metallic atom substituted blue phosphorene

(2015) Minglei Sun et al.   APPLIED SURFACE SCIENCE

Computational studies on structural and electronic properties of functionalized MXene monolayers and nanotubes

(2015) Xu Zhang et al.   Journal of Materials Chemistry A

Density functional theory study of water interactions on Mn-doped CeO2(111) surface

(2014) Delfina García Pintos et al.   APPLIED SURFACE SCIENCE

Theoretical Model for CO Adsorption and Dissociation on Clean and K-Doped β-Mo2C Surfaces

(2012) Carolina Pistonesi et al.   Journal of Physical Chemistry C

Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2

(2011) Michael Naguib et al.   ADVANCED MATERIALS

Hydrogenation: A Simple Approach To Realize Semiconductor−Half-Metal−Metal Transition in Boron Nitride Nanoribbons

(2010) Wei Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Generalized Fabrication of Nanoporous Metals (Au, Pd, Pt, Ag, and Cu) through Chemical Dealloying

(2009) Zhonghua Zhang et al.   Journal of Physical Chemistry C