Exploring Janus MoSSe monolayer as a workable media for SOF6 decompositions sensing based on DFT calculations

Fluoride ion batteries: Designing flexible M2CH2 (M=Ti or V) MXenes as high-capacity cathode materials

(2020) Xiao-Yong Yang et al.   Nano Energy

High selectivity n-type InSe monolayer toward decomposition products of sulfur hexafluoride: A density functional theory study

(2019) Dachang Chen et al.   APPLIED SURFACE SCIENCE

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

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

Facile fabrication of polyaniline/multi-walled carbon nanotubes/molybdenum disulfide ternary nanocomposite and its high-performance ammonia-sensing at room temperature

(2018) Dongzhi Zhang et al.   SENSORS AND ACTUATORS B-CHEMICAL

Gas sensing and capturing based on two-dimensional layered materials: Overview from theoretical perspective

(2018) Xiao Tang et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

A Janus MoSSe monolayer: a potential wide solar-spectrum water-splitting photocatalyst with a low carrier recombination rate

(2018) Xiangchao Ma et al.   Journal of Materials Chemistry A

Pristine and Cu decorated hexagonal InN monolayer, a promising candidate to detect and scavenge SF6 decompositions based on first-principle study

(2018) Dachang Chen et al.   JOURNAL OF HAZARDOUS MATERIALS

Janus monolayers of transition metal dichalcogenides

(2017) Ang-Yu Lu et al.   Nature Nanotechnology

Synthesis of Graphene-Based Sensors and Application on Detecting SF6 Decomposing Products: A Review

(2017) Xiaoxing Zhang et al.   SENSORS

Room-temperature SO2 gas-sensing properties based on a metal-doped MoS2 nanoflower: an experimental and density functional theory investigation

(2017) Dongzhi Zhang et al.   Journal of Materials Chemistry A

First-principles approach to design and evaluation of graphene as methane sensors

(2017) Daoguo Yang et al.   MATERIALS & DESIGN

2D transition metal dichalcogenides

(2017) Sajedeh Manzeli et al.   Nature Reviews Materials

Formaldehyde molecule adsorption on the doped monolayer MoS 2 : A first-principles study

(2016) Dongwei Ma et al.   APPLIED SURFACE SCIENCE

Adsorption of NO2, NH3 on monolayer MoS2 doped with Al, Si, and P: A first-principles study

(2016) Hao Luo et al.   CHEMICAL PHYSICS LETTERS

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

Theoretical study of the NO, NO2, CO, SO2, and NH3adsorptions on multi-diameter single-wall MoS2nanotube

(2015) Rongfang Cao et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Response to NO2 and other gases of resistive chemically exfoliated MoS2-based gas sensors

(2015) M. Donarelli et al.   SENSORS AND ACTUATORS B-CHEMICAL

Stabilizing MoS2Nanosheets through SnO2Nanocrystal Decoration for High-Performance Gas Sensing in Air

(2015) Shumao Cui et al.   Small

Stable Si-based pentagonal monolayers: high carrier mobilities and applications in photocatalytic water splitting

(2015) Xinru Li et al.   Journal of Materials Chemistry A

Experimental Sensing and Density Functional Theory Study of H2S and SOF2Adsorption on Au-Modified Graphene

(2015) Xiaoxing Zhang et al.   Advanced Science

Gas adsorption on MoS2 monolayer from first-principles calculations

(2014) Shijun Zhao et al.   CHEMICAL PHYSICS LETTERS

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

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

Sensing Behavior of Atomically Thin-Layered MoS2 Transistors

(2013) Dattatray J. Late et al.   ACS Nano

Stable, Single-Layer MX2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure

(2012) C. Ataca et al.   Journal of Physical Chemistry C

TiO2 Nanotube Array Sensor for Detecting the SF6 Decomposition Product SO2

(2012) Xiaoxing Zhang et al.   SENSORS

First principles study of structural, vibrational and electronic properties of graphene-like MX2 (M=Mo, Nb, W, Ta; X=S, Se, Te) monolayers

(2011) Yi Ding et al.   PHYSICA B-CONDENSED MATTER

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

Erratum: Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces [Phys. Rev. Lett.100, 136406 (2008)]

(2009) John P. Perdew et al.   PHYSICAL REVIEW LETTERS