Phosgene Gas Sensing of Ti 2 CT 2 (T = F − , O − , OH − ) MXenes

Stone–Wales Defect Induced Performance Improvement of BC3 Monolayer for High Capacity Lithium-Ion Rechargeable Battery Anode Applications

(2020) Siby Thomas et al.   Journal of Physical Chemistry C

2D Sb2C3 monolayer: A promising material for recyclable gas sensor for environmentally toxic nitrogen-containing gases (NCGs)

(2020) Vipin Kumar et al.   JOURNAL OF HAZARDOUS MATERIALS

Strain-induced work function in h-BN and BCN monolayers

(2020) S. Thomas et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Two-dimensional haeckelite h567: A promising high capacity and fast Li diffusion anode material for lithium-ion batteries

(2019) Siby Thomas et al.   CARBON

CrI3-WTe2: A Novel Two-Dimensional Heterostructure as Multisensor for BrF3 and COCL2 Toxic Gases

(2019) Amreen Bano et al.   Scientific Reports

Titanium-carbide MXenes for work function and interface engineering in perovskite solar cells

(2019) A. Agresti et al.   NATURE MATERIALS

Elemental Substitution of Two-Dimensional Transition Metal Dichalcogenides (MoSe2 and MoTe2): Implications for Enhanced Gas Sensing

(2019) Puspamitra Panigrahi et al.   ACS Sensors

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

(2018) Seon Joon Kim et al.   ACS Nano

A new flatland buddy as toxic gas scavenger: A first principles study

(2018) Khushboo Patel et al.   JOURNAL OF HAZARDOUS MATERIALS

Graphitic Carbon Nitride Nano Sheets Functionalized With Selected Transition Metal Dopants: An Efficient Way To Store CO2

(2018) Tanveer Hussain et al.   NANOTECHNOLOGY

Effects of point defects on the magnetoelectronic structures of MXenes from first principles

(2018) Arkamita Bandyopadhyay et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Superior structural, elastic and electronic properties of 2D titanium nitride MXenes over carbide MXenes: a comprehensive first principles study

(2018) Ning Zhang et al.   2D Materials

Atomistic dynamics investigation of the thermo-mechanical properties and Li diffusion kinetics in ψ-graphene for LIB anode material

(2018) Siby Thomas et al.   ACS Applied Materials & Interfaces

Stabilities and electronic properties of vacancy-doped Ti2CO2

(2018) Changying Wang et al.   COMPUTATIONAL MATERIALS SCIENCE

Efficient and selective sensing of nitrogen-containing gases by Si2BN nanosheets under pristine and pre-oxidized conditions

(2018) T. Hussain et al.   APPLIED SURFACE SCIENCE

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

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

Empirical potential influence and effect of temperature on the mechanical properties of pristine and defective hexagonal boron nitride

(2017) Siby Thomas et al.   Materials Research Express

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

(2017) Babak Anasori et al.   Nature Reviews Materials

Atomic Defects in Monolayer Titanium Carbide (Ti3C2Tx) MXene

(2016) Xiahan Sang et al.   ACS Nano

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

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

Defect and Substitution-Induced Silicene Sensor to Probe Toxic Gases

(2016) Tanveer Hussain et al.   Journal of Physical Chemistry C

NMR reveals the surface functionalisation of Ti3C2 MXene

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

MXenes: Reusable materials for NH 3 sensor or capturer by controlling the charge injection

(2016) Bo Xiao et al.   SENSORS AND ACTUATORS B-CHEMICAL

Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes)

(2015) Babak Anasori et al.   ACS Nano

Stable line defects in silicene

(2015) Dibyajyoti Ghosh et al.   PHYSICAL REVIEW B

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

(2015) Mohammad Khazaei et al.   PHYSICAL REVIEW B

Recent advances in MXene: Preparation, properties, and applications

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

Defect-Dominated Doping and Contact Resistance in MoS2

(2014) Stephen McDonnell et al.   ACS Nano

Improving SO2 gas sensing properties of graphene by introducing dopant and defect: A first-principles study

(2014) Xu-Ying Liu et al.   APPLIED SURFACE SCIENCE

Evidence for Active Atomic Defects in Monolayer Hexagonal Boron Nitride: A New Mechanism of Plasticity in Two-Dimensional Materials

(2014) Ovidiu Cretu et al.   NANO LETTERS

Sensing propensity of a defected graphane sheet towards CO, H2O and NO2

(2014) Tanveer Hussain et al.   NANOTECHNOLOGY

Electronics based on two-dimensional materials

(2014) Gianluca Fiori et al.   Nature Nanotechnology

Photodetectors based on graphene, other two-dimensional materials and hybrid systems

(2014) F. H. L. Koppens et al.   Nature Nanotechnology

Two-dimensional material nanophotonics

(2014) Fengnian Xia et al.   Nature Photonics

Increasing the elastic modulus of graphene by controlled defect creation

(2014) Guillermo López-Polín et al.   Nature Physics

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

Two-dimensional flexible nanoelectronics

(2014) Deji Akinwande et al.   Nature Communications

Understanding dopant and defect effect on H2S sensing performances of graphene: A first-principles study

(2013) Yong-Hui Zhang et al.   COMPUTATIONAL MATERIALS SCIENCE

Hybrid density functional study of structural and electronic properties of functionalized Tin+1Xn(X=C, N) monolayers

(2013) Yu Xie et al.   PHYSICAL REVIEW B

Intercalation and delamination of layered carbides and carbonitrides

(2013) Olha Mashtalir et al.   Nature Communications

Two-Dimensional Transition Metal Carbides

(2012) Michael Naguib et al.   ACS Nano

Selective Gas Sensing with a Single Pristine Graphene Transistor

(2012) Sergey Rumyantsev et al.   NANO LETTERS

Improved gas sensing activity in structurally defected bilayer graphene

(2012) Y Hajati et al.   NANOTECHNOLOGY

Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2

(2011) Michael Naguib et al.   ADVANCED MATERIALS

Structural Defects in Graphene

(2010) Florian Banhart et al.   ACS Nano

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

Adsorption ofH2O,NH3, CO,NO2, and NO on graphene: A first-principles study

(2008) O. Leenaerts et al.   PHYSICAL REVIEW B

Molecular Doping of Graphene

(2007) T. O. Wehling et al.   NANO LETTERS