Electron Energy Loss Structures of Terminated Scandium and Hafnium MXene Monolayers from First-Principles Calculations

Doped Sc2C(OH)2 MXene: new type s-pd band inversion topological insulator

(2018) Erdem Balcı et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Atomistic Origin of Phase Stability in Oxygen-Functionalized MXene: A Comparative Study

(2017) Avanish Mishra et al.   Journal of Physical Chemistry C

Theoretical exploration of the potential applications of Sc-based MXenes

(2017) Jing-He Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Excitonic, vibrational, and van der Waals interactions in electron energy loss spectroscopy

(2017) T. Mizoguchi et al.   ULTRAMICROSCOPY

Recent progress in layered transition metal carbides and/or nitrides (MXenes) and their composites: synthesis and applications

(2017) Vincent Ming Hong Ng et al.   Journal of Materials Chemistry A

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

(2017) Babak Anasori et al.   Nature Reviews Materials

Thermoelectric Performance of the MXenes M2CO2 (M = Ti, Zr, or Hf)

(2016) Appala Naidu Gandi et al.   CHEMISTRY OF MATERIALS

Theoretical interpretation on lead adsorption behavior of new two-dimensional transition metal carbides and nitrides

(2016) Jianxin Guo et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Prediction of Mobility, Enhanced Storage Capacity, and Volume Change during Sodiation on Interlayer-Expanded Functionalized Ti3C2 MXene Anode Materials for Sodium-Ion Batteries

(2016) Yang-Xin Yu   Journal of Physical Chemistry C

Promising electron mobility and high thermal conductivity in Sc2CT2(T = F, OH) MXenes

(2016) Xian-Hu Zha et al.   Nanoscale

Vibrational and mechanical properties of single layer MXene structures: a first-principles investigation

(2016) Uğur Yorulmaz et al.   NANOTECHNOLOGY

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

Site-projected electronic structure of two-dimensional Ti3C2 MXene: the role of the surface functionalization groups

(2016) Damien Magne et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

NMR reveals the surface functionalisation of Ti3C2 MXene

(2016) Michael A. Hope et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Two-Dimensional Molybdenum Carbide (MXene) as an Efficient Electrocatalyst for Hydrogen Evolution

(2016) Zhi Wei Seh et al.   ACS Energy Letters

The thermal and electrical properties of the promising semiconductor MXene Hf2CO2

(2016) Xian-Hu Zha et al.   Scientific Reports

Achieving Type I, II, and III Heterojunctions Using Functionalized MXene

(2015) Youngbin Lee et al.   ACS Applied Materials & Interfaces

Monolayer Ti2CO2: A Promising Candidate for NH3 Sensor or Capturer with High Sensitivity and Selectivity

(2015) Xue-fang Yu et al.   ACS Applied Materials & Interfaces

CO2 and temperature dual responsive “Smart” MXene phases

(2015) Jing Chen et al.   CHEMICAL COMMUNICATIONS

Role of the surface effect on the structural, electronic and mechanical properties of the carbide MXenes

(2015) Xian-Hu Zha et al.   EPL

Heavy-Metal Adsorption Behavior of Two-Dimensional Alkalization-Intercalated MXene by First-Principles Calculations

(2015) Jianxin Guo et al.   Journal of Physical Chemistry C

OH-terminated two-dimensional transition metal carbides and nitrides as ultralow work function materials

(2015) Mohammad Khazaei et al.   PHYSICAL REVIEW B

MXene nanoribbons

(2015) Shijun Zhao et al.   Journal of Materials Chemistry C

Tunable Indirect to Direct Band Gap Transition of Monolayer Sc2CO2 by the Strain Effect

(2014) Youngbin Lee et al.   ACS Applied Materials & Interfaces

Manipulation of electronic and magnetic properties of M2C (M = Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains

(2014) Shijun Zhao et al.   APPLIED PHYSICS LETTERS

Two-dimensional Sc2C: A reversible and high-capacity hydrogen storage material predicted by first-principles calculations

(2014) Qianku Hu et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Tunable Band Structures of Heterostructured Bilayers with Transition-Metal Dichalcogenide and MXene Monolayer

(2014) Zhinan Ma et al.   Journal of Physical Chemistry C

Trends in electronic structures and structural properties of MAX phases: a first-principles study on M2AlC (M = Sc, Ti, Cr, Zr, Nb, Mo, Hf, or Ta), M2AlN, and hypothetical M2AlB phases

(2014) Mohammad Khazaei et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory

(2014) Andris Gulans et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

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

Achieving a direct band gap in oxygen functionalized-monolayer scandium carbide by applying an electric field

(2014) Youngbin Lee et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Two-dimensional molybdenum carbides: potential thermoelectric materials of the MXene family

(2014) Mohammad Khazaei et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic and optical properties of 2D graphene-like compounds titanium carbides and nitrides: DFT calculations

(2014) H. Lashgari et al.   SOLID STATE COMMUNICATIONS

Dye adsorption and decomposition on two-dimensional titanium carbide in aqueous media

(2014) O. Mashtalir et al.   Journal of Materials Chemistry A

Ultrathin Nanosheets of MAX Phases with Enhanced Thermal and Mechanical Properties in Polymeric Compositions: Ti3Si0.75Al0.25C2

(2013) Xiaodong Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Calculation of core-level excitation in some MAX-phase compounds

(2013) Liaoyuan Wang et al.   JOURNAL OF APPLIED PHYSICS

New Two-Dimensional Niobium and Vanadium Carbides as Promising Materials for Li-Ion Batteries

(2013) Michael Naguib et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

Two-Dimensional Transition Metal Carbides

(2012) Michael Naguib et al.   ACS Nano

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

(2012) Mohammad Khazaei et al.   ADVANCED FUNCTIONAL MATERIALS

First principles study of two-dimensional early transition metal carbides

(2012) Murat Kurtoglu et al.   MRS Communications

Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2

(2011) Michael Naguib et al.   ADVANCED MATERIALS

Progress in research and development on MAX phases: a family of layered ternary compounds

(2011) Z M Sun   INTERNATIONAL MATERIALS REVIEWS

Large Scale Growth and Characterization of Atomic Hexagonal Boron Nitride Layers

(2010) Li Song et al.   NANO LETTERS

Atomically ThinMoS2: A New Direct-Gap Semiconductor

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

Image potential states in graphene

(2009) V. M. Silkin et al.   PHYSICAL REVIEW B

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS