Ca2C MXene monolayer as a superior material for detection of toxic pnictogen hydrides

Ca2C MXene monolayer as a superior anode for metal-ion batteries

(2021) Kaptan Rajput et al.   2D Materials

Defective Carbon Nanocone as an Anode Material for Lithium-Ion Batteries

(2020) Akbar Omidvar   ACS Applied Energy Materials

Catalytic effect of Ti2C MXene on the dehydrogenation of MgH2

(2019) Jingxiao Li et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

A first-principles study of Cl2, PH3, AsH3, BBr3 and SF4 gas adsorption on MoS2 monolayer with S and Mo vacancy

(2019) J. Meribah Jasmine et al.   APPLIED SURFACE SCIENCE

General adsorption model for H2S, H2Se, H2Te, NH3, PH3, AsH3 and SbH3 on the V2O5(0 0 1) surface including the van der Waals interaction

(2019) Víctor A. Ranea et al.   CHEMICAL PHYSICS LETTERS

Density functional theory analysis of selective adsorption of AsH3 on transition metal-doped graphene

(2019) Yuan Li et al.   JOURNAL OF MOLECULAR MODELING

Effects of two-dimension MXene Ti3C2 on hydrogen storage performances of MgH2-LiAlH4 composite

(2019) Gang Chen et al.   CHEMICAL PHYSICS

Single-layer stanane as potential gas sensor for NO2, SO2, CO2 and NH3 under DFT investigation

(2019) Vipin Kumar et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

C2N monolayer as NH3 and NO sensors: A DFT study

(2019) Yongliang Yong et al.   APPLIED SURFACE SCIENCE

The Al, Ga and Sc dopants effect on the adsorption performance of B12N12 nanocluster toward pnictogen hydrides

(2019) Samaneh Larki et al.   CHEMICAL PHYSICS

Adsorption of molecules on C3N nanosheet: A first-principles calculations

(2019) A. Bafekry et al.   CHEMICAL PHYSICS

Investigation of the electronic and structural properties of graphyne oxide toward CO, CO2 and NH3 adsorption: A DFT and MD study

(2019) Fatemeh Mofidi et al.   APPLIED SURFACE SCIENCE

Enhanced Hydrogen Storage Properties and Reversibility of LiBH4 Confined in Two-Dimensional Ti3C2

(2018) Lei Zang et al.   ACS Applied Materials & Interfaces

Metallic Ti3C2Tx MXene Gas Sensors with Ultrahigh Signal-to-Noise Ratio

(2018) Seon Joon Kim et al.   ACS Nano

DFT study of adsorption behavior of NO, CO, NO 2 , and NH 3 molecules on graphene-like BC 3 : A search for highly sensitive molecular sensor

(2018) Sadegh Mehdi Aghaei et al.   APPLIED SURFACE SCIENCE

Charge-controlled switchable CO adsorption on FeN 4 cluster embedded in graphene

(2018) Akbar Omidvar   SURFACE SCIENCE

MXene: An emerging material for sensing and biosensing

(2018) Ankita Sinha et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Insights into 2D MXenes for Versatile Biomedical Applications: Current Advances and Challenges Ahead

(2018) Han Lin et al.   Advanced Science

Two-Dimensional Ti3C2 MXene for High-Resolution Neural Interfaces

(2018) Nicolette Driscoll et al.   ACS Nano

DFT study of arsine (AsH3) gas adsorption on pristine, Stone-Wales-defected, and Fe-doped single-walled carbon nanotubes

(2018) Javad Arasteh et al.   STRUCTURAL CHEMISTRY

Adsorption of the NH3, NO, NO2, CO2, and CO gas molecules on blue phosphorene: A first-principles study

(2018) F. Safari et al.   APPLIED SURFACE SCIENCE

Arsenene nanoribbons for sensing NH3 and PH3 gas molecules – A first-principles perspective

(2018) R. Bhuvaneswari et al.   APPLIED SURFACE SCIENCE

Electronic structure tuning and band gap opening of nitrogen and boron doped holey graphene flake: The role of single/dual doping

(2017) Akbar Omidvar   MATERIALS CHEMISTRY AND PHYSICS

Layer Structured Materials for Advanced Energy Storage and Conversion

(2017) Yanpeng Guo et al.   Small

Borophene: A novel boron sheet with a hexagonal vacancy offering high sensitivity for hydrogen cyanide detection

(2017) Akbar Omidvar   Computational and Theoretical Chemistry

Two-dimensional MXene/A-TiO2 composite with unprecedented catalytic activation for sodium alanate

(2017) Yanping Fan et al.   CATALYSIS TODAY

Study of 2D MXene Cr 2 C material for hydrogen storage using density functional theory

(2016) A. Yadav et al.   APPLIED SURFACE SCIENCE

Superior catalytic activity derived from a two-dimensional Ti3C2 precursor towards the hydrogen storage reaction of magnesium hydride

(2016) Yongfeng Liu et al.   CHEMICAL COMMUNICATIONS

Two-Dimensional Ultrathin MXene Ceramic Nanosheets for Photothermal Conversion

(2016) Han Lin et al.   NANO LETTERS

Cohesion energetics of carbon allotropes: Quantum Monte Carlo study

(2014) Hyeondeok Shin et al.   JOURNAL OF CHEMICAL PHYSICS

An extraordinarily stable catalyst: Pt NPs supported on two-dimensional Ti3C2X2 (X = OH, F) nanosheets for oxygen reduction reaction

(2013) Xiaohong Xie et al.   CHEMICAL COMMUNICATIONS

Synthesis of a new graphene-like transition metal carbide by de-intercalating Ti3AlC2

(2013) Fangyuan Chang et al.   MATERIALS LETTERS

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

Experimental Evidence for Epitaxial Silicene on Diboride Thin Films

(2012) Antoine Fleurence et al.   PHYSICAL REVIEW LETTERS

Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2

(2011) Michael Naguib et al.   ADVANCED MATERIALS

Improving the Accuracy of Hybrid Meta-GGA Density Functionals by Range Separation

(2011) Roberto Peverati et al.   Journal of Physical Chemistry Letters

Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study

(2009) Yong-Hui Zhang et al.   NANOTECHNOLOGY