DFT coupled with NEGF study of ultra-sensitive HCN and HNC gases detection and distinct I–V response based on phosphorene

Exploration of new ferromagnetic, semiconducting and biocompatible Nb3X8(X = Cl, Br or I) monolayers with considerable visible and infrared light absorption

(2017) Junke Jiang et al.   Nanoscale

Adsorption sensitivity of metal atom decorated bilayer graphene toward toxic gas molecules (CO, NO, SO 2 and HCN)

(2017) Yanan Tang et al.   SENSORS AND ACTUATORS B-CHEMICAL

Nanoscale doping of compound semiconductors by solid phase dopant diffusion

(2016) Jaehyun Ahn et al.   APPLIED PHYSICS LETTERS

First-Principles Study of Sulfur Dioxide Sensor Based on Phosphorenes

(2016) Qun Yang et al.   IEEE ELECTRON DEVICE LETTERS

Ab Initio Study of the Adsorption of Small Molecules on Stanene

(2016) Xianping Chen et al.   Journal of Physical Chemistry C

Substitutionally doped phosphorene: electronic properties and gas sensing

(2016) Nawat Suvansinpan et al.   NANOTECHNOLOGY

Tuning anisotropic electronic transport properties of phosphorene via substitutional doping

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

First-principles study of MoS2, phosphorene and graphene based single electron transistor for gas sensing applications

(2016) S.J. Ray   SENSORS AND ACTUATORS B-CHEMICAL

The electronic and optical properties of novel germanene and antimonene heterostructures

(2016) Xianping Chen et al.   Journal of Materials Chemistry C

An AlAs/germanene heterostructure with tunable electronic and optical properties via external electric field and strain

(2016) Chunjian Tan et al.   Journal of Materials Chemistry C

Few-layer Phosphorene: An Ideal 2D Material For Tunnel Transistors

(2016) Tarek A. Ameen et al.   Scientific Reports

Black Phosphorus Gas Sensors

(2015) Ahmad N. Abbas et al.   ACS Nano

The fate of cyanide in leach wastes at gold mines: An environmental perspective

(2015) Craig A. Johnson   APPLIED GEOCHEMISTRY

First-principle study of structural, electronic, vibrational and magnetic properties of HCN adsorbed graphene doped with Cr, Mn and Fe

(2015) Li Bin Shi et al.   APPLIED SURFACE SCIENCE

A First-Principles Study on Electron Donor and Acceptor Molecules Adsorbed on Phosphorene

(2015) Ruiqi Zhang et al.   Journal of Physical Chemistry C

First-Principles Study of Metal Adatom Adsorption on Black Phosphorene

(2015) Tao Hu et al.   Journal of Physical Chemistry C

Highly Sensitive and Selective Gas Detection Based on Silicene

(2015) Jariyanee Prasongkit et al.   Journal of Physical Chemistry C

Energetics, Charge Transfer, and Magnetism of Small Molecules Physisorbed on Phosphorene

(2015) Yongqing Cai et al.   Journal of Physical Chemistry C

Transition Metal Doped Phosphorene: First-Principles Study

(2015) Arqum Hashmi et al.   Journal of Physical Chemistry C

The contribution of outdoor air pollution sources to premature mortality on a global scale

(2015) J. Lelieveld et al.   NATURE

A first-principles study of sodium adsorption and diffusion on phosphorene

(2015) Xiao Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Recent advances in graphene based gas sensors

(2015) Seba S. Varghese et al.   SENSORS AND ACTUATORS B-CHEMICAL

Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility

(2014) Han Liu et al.   ACS Nano

Large Enhancement and Tunable Band Gap in Silicene by Small Organic Molecule Adsorption

(2014) Thaneshwor P. Kaloni et al.   Journal of Physical Chemistry C

Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I–V Response

(2014) Liangzhi Kou et al.   Journal of Physical Chemistry Letters

Phosphorene excites materials scientists

(2014) Eugenie Samuel Reich   NATURE

Density functional tight binding

(2014) M. Elstner et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

High-Performance Sensors Based on Molybdenum Disulfide Thin Films

(2013) Kangho Lee et al.   ADVANCED MATERIALS

Adsorption Properties of Polyvinyl-Alcohol-Grafted Particles Toward Genistein Driven by Hydrogen-Bond Interaction

(2013) Yanyan Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Chemical Vapor Sensing with Monolayer MoS2

(2013) F. K. Perkins et al.   NANO LETTERS

Transferable basis sets of numerical atomic orbitals

(2012) Manuel J. Louwerse et al.   PHYSICAL REVIEW B

Gas adsorption on graphene doped with B, N, Al, and S: A theoretical study

(2009) Jiayu Dai et al.   APPLIED PHYSICS LETTERS

Thermal stability of interaction between the CO molecules and the Al doped graphene

(2009) Z. M. Ao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular Single-Bond Covalent Radii for Elements 1-118

(2008) Pekka Pyykkö et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

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