Coverage-dependent adsorption of small gas molecules on black phosphorene: a DFT study

First-principles investigation on detection of phosgene gas molecules using phosphorene nanosheet device

(2019) R. Bhuvaneswari et al.   CHEMICAL PHYSICS LETTERS

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

Ethylene adsorption on Ag(111), Rh(111) and Ir(111) by (meta)-GGA based density functional theory calculations

(2019) Pei-pei Chen et al.   CHINESE JOURNAL OF CHEMICAL PHYSICS

A coverage dependent study of the adsorption of pyridine on the (111) coinage metal surfaces

(2019) Walter Malone et al.   SURFACE SCIENCE

Adsorption of thiophene on transition metal surfaces with the inclusion of van der Waals effects

(2018) Walter Malone et al.   SURFACE SCIENCE

Drastic Improvement in Gas-Sensing Characteristics of Phosphorene Nanosheets under Vacancy Defects and Elemental Functionalization

(2018) T. Kaewmaraya et al.   Journal of Physical Chemistry C

DFT study of the CO2 and CH4 assisted adsorption on the surface of graphene

(2018) Noushin Osouleddini et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

An easy route to synthesize high-quality black phosphorus from amorphous red phosphorus

(2018) G. Tiouitchi et al.   MATERIALS LETTERS

Adsorption and decomposition of metal decorated phosphorene toward H2S, HCN and NH3 molecules

(2018) Anlong Kuang et al.   APPLIED SURFACE SCIENCE

A van der Waals Inclusive Density Functional Theory Study of the Nature of Bonding for Thiophene Adsorption on Ni(100) and Cu(100) Surfaces

(2017) Walter Malone et al.   Journal of Physical Chemistry C

Adsorption and diffusion on a phosphorene monolayer: a DFT study

(2017) A. Sibari et al.   JOURNAL OF SOLID STATE ELECTROCHEMISTRY

Gas adsorption on monolayer blue phosphorus: implications for environmental stability and gas sensors

(2017) Nanshu Liu et al.   NANOTECHNOLOGY

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

(2017) Jiu Pang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab Initio Study of the Adsorption of Small Molecules on Stanene

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

Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation

(2016) Haowei Peng et al.   Physical Review X

Phosphorene: from theory to applications

(2016) Alexandra Carvalho et al.   Nature Reviews Materials

Insight into the Effect of Long Range Interactions for the Adsorption of Benzene on Transition Metal (110) Surfaces

(2015) Jeronimo Matos 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

Epitaxial growth of two-dimensional stanene

(2015) Feng-feng Zhu et al.   NATURE MATERIALS

A phosphorene–graphene hybrid material as a high-capacity anode for sodium-ion batteries

(2015) Jie Sun et al.   Nature Nanotechnology

Strongly Constrained and Appropriately Normed Semilocal Density Functional

(2015) Jianwei Sun et al.   PHYSICAL REVIEW LETTERS

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

(2014) Han Liu et al.   ACS Nano

Bilayer Phosphorene: Effect of Stacking Order on Bandgap and Its Potential Applications in Thin-Film Solar Cells

(2014) Jun Dai et al.   Journal of Physical Chemistry Letters

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

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

Black phosphorus field-effect transistors

(2014) Likai Li et al.   Nature Nanotechnology

Layer-controlled band gap and anisotropic excitons in few-layer black phosphorus

(2014) Vy Tran et al.   PHYSICAL REVIEW B

Layered transition metal dichalcogenides for electrochemical energy generation and storage

(2014) Martin Pumera et al.   Journal of Materials Chemistry A

Stability and Exfoliation of Germanane: A Germanium Graphane Analogue

(2013) Elisabeth Bianco et al.   ACS Nano

Trends in Adsorption Characteristics of Benzene on Transition Metal Surfaces: Role of Surface Chemistry and van der Waals Interactions

(2013) Handan Yildirim et al.   Journal of Physical Chemistry C

Nonlocal van der Waals density functional made simple and efficient

(2013) Riccardo Sabatini et al.   PHYSICAL REVIEW B

Electrochemical Na Insertion and Solid Electrolyte Interphase for Hard-Carbon Electrodes and Application to Na-Ion Batteries

(2011) Shinichi Komaba et al.   ADVANCED FUNCTIONAL MATERIALS

Graphene-like silicon nanoribbons on Ag(110): A possible formation of silicene

(2010) Bernard Aufray et al.   APPLIED PHYSICS LETTERS

Nonlocal van der Waals density functional: The simpler the better

(2010) Oleg A. Vydrov et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption of Gas Molecules on Graphene Nanoribbons and Its Implication for Nanoscale Molecule Sensor

(2008) Bing Huang et al.   Journal of Physical Chemistry C

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

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