Square-octagon arsenene nanosheet as chemical nanosensor for M-xylene and toluene – A DFT outlook

Methyl and Ethyl mercaptan molecular adsorption studies on novel Kagome arsenene nanosheets - a DFT outlook

(2020) R. Bhuvaneswari et al.   PHYSICA B-CONDENSED MATTER

Silver-graphene quantum dots based electrochemical sensor for trinitrotoluene and p-nitrophenol

(2020) Tabish Jadoon et al.   JOURNAL OF MOLECULAR LIQUIDS

Interaction studies of volatiles from jackfruit on α-phosphorene nanosheet—a DFT outlook

(2020) V. Nagarajan et al.   STRUCTURAL CHEMISTRY

Xenes as an Emerging 2D Monoelemental Family: Fundamental Electrochemistry and Energy Applications

(2020) Tingting Wang et al.   ADVANCED FUNCTIONAL MATERIALS

Interaction studies of aniline on pristine and Al-doped ε-Arsenene nanosheets – A first-principles insight

(2020) R. Bhuvaneswari et al.   CHEMICAL PHYSICS LETTERS

2D Material Chemistry: Graphdiyne-based Biochemical Sensing

(2020) Jiaofu Li et al.   CHEMICAL RESEARCH IN CHINESE UNIVERSITIES

DFT Outlook on Surface Adsorption Properties of Nitrobenzene on Novel Red Tricycle Arsenene Nanoring

(2020) R. Bhuvaneswari et al.   Journal of Inorganic and Organometallic Polymers and Materials

Cyclic versus straight chain oligofuran as sensor: A detailed DFT study

(2020) Hasnain Sajid et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Molecular interaction studies of cumene and toluene on δ-arsenene nanosheet – a first-principles outlook

(2020) R. Bhuvaneswari et al.   MOLECULAR PHYSICS

Influence of NiO decoration on adsorption capabilities of black phosphorus monolayer toward nitrogen dioxide: periodic DFT calculations

(2020) Mahdi Ghadiri et al.   MOLECULAR SIMULATION

Investigation on adsorption properties of HCN and ClCN blood agents on θ–phosphorene nanosheets – A first–principles insight

(2020) M.S. Jyothi et al.   CHEMICAL PHYSICS

Physisorption of propane and butane vapors on novel Kagome antimonene sheets – A first-principles perception

(2020) R. Bhuvaneswari et al.   CHEMICAL PHYSICS LETTERS

Sensing studies of DDT and Toxaphene molecules using chemi-resistive β-antimonene nanotubes based on first-principles insights

(2020) R. Bhuvaneswari et al.   CHEMICAL PHYSICS LETTERS

Benzyl alcohol and 2-methyldecalin vapor adsorption studies on β-bismuthene sheets – A DFT outlook

(2020) M.S. Jyothi et al.   CHEMICAL PHYSICS LETTERS

Novel gamma arsenene nanosheets as sensing medium for vomiting agents: A first-principles research

(2020) Baswa Swetha et al.   Computational and Theoretical Chemistry

Interaction study of amino acid on novel Kagome phosphorene nanotube – A DFT outlook

(2020) R. Bhuvaneswari et al.   Computational and Theoretical Chemistry

Structures, properties and application of 2D monoelemental materials (Xenes) as graphene analogues under defect engineering

(2020) Zongyu Huang et al.   Nano Today

First-principles insight on interaction behavior of diethylbenzene and ethyltoluene on α-arsenene nanoring

(2020) V. Nagarajan et al.   Materials Today Communications

Sorptive removal of toluene and m-xylene by municipal solid waste biochar: Simultaneous municipal solid waste management and remediation of volatile organic compounds

(2019) Yohan Jayawardhana et al.   JOURNAL OF ENVIRONMENTAL MANAGEMENT

Two-dimensional pnictogens: A review of recent progresses and future research directions

(2019) F. Ersan et al.   Applied Physics Reviews

Highly selective acridinium based cyanine dyes for the detection of DNA base pairs (adenine, cytosine, guanine and thymine)

(2019) Hasnain Sajid et al.   Computational and Theoretical Chemistry

Electric field-modulated high sensitivity and selectivity for NH3 on α-C2N2 nanosheet: Insights from DFT calculations

(2019) C. He et al.   APPLIED SURFACE SCIENCE

Influence of defects and dopants on the sensitivity of arsenene towards HCN

(2019) Qingxiao Zhou et al.   APPLIED SURFACE SCIENCE

Experimental evidence of monolayer arsenene: an exotic 2D semiconducting material

(2019) J Shah et al.   2D Materials

Adsorption mechanism of SF 6 decomposed species on pyridine-like PtN 3 embedded CNT: A DFT study

(2018) Hao Cui et al.   APPLIED SURFACE SCIENCE

Adsorption of benzene and toluene molecules on surface of pure and doped cadmium oxide nanosheets: A computational investigation

(2018) Davood Farmanzadeh et al.   APPLIED SURFACE SCIENCE

Recent progress in 2D group-VA semiconductors: from theory to experiment

(2018) Shengli Zhang et al.   CHEMICAL SOCIETY REVIEWS

Adsorption of 3 d transition-metal atom on InSe monolayer: A first-principles study

(2018) Weiwei Ju et al.   COMPUTATIONAL MATERIALS SCIENCE

How can nickel decoration affect H 2 adsorption on B 12 P 12 nano-heterostructures?

(2018) Ali Shokuhi Rad et al.   JOURNAL OF MOLECULAR LIQUIDS

DFT study on the adsorption sensitivity of graphane doped with Cr and Mn toward H 2 CO molecule

(2018) Qingxiao Zhou et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Adsorption and possible dissociation of glucose by the [BN fullerene-B6]− magnetic nanocomposite. In silico studies

(2018) E. Chigo Anota et al.   Applied Nanoscience

Arsenene nanosheets and nanodots

(2018) Pratap Vishnoi et al.   NEW JOURNAL OF CHEMISTRY

Water Splits To Degrade Two-Dimensional Group-IV Monochalcogenides in Nanoseconds

(2018) Salvador Barraza-Lopez et al.   ACS Central Science

Pt & Pd decorated CNT as a workable media for SOF2 sensing: A DFT study

(2018) Hao Cui et al.   APPLIED SURFACE SCIENCE

Sulfur Dioxide and Nitrogen Dioxide Gas Sensor Based on Arsenene: A First-Principle Study

(2017) Xian-Ping Chen et al.   IEEE ELECTRON DEVICE LETTERS

Au cluster adsorption on perfect and defective MoS2 monolayers: structural and electronic properties

(2017) Weiwei Ju et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Arsenene as a promising candidate for NO and NO 2 sensor: A first-principles study

(2017) Can Liu et al.   PHYSICS LETTERS A

Recent advances in black phosphorus-based photonics, electronics, sensors and energy devices

(2017) Ye Zhou et al.   Materials Horizons

Exotic d0 magnetism in partial hydrogenated silicene

(2016) Weiwei Ju et al.   APPLIED PHYSICS LETTERS

The adsorption of CO and NO on the MoS 2 monolayer doped with Au, Pt, Pd, or Ni: A first-principles study

(2016) Dongwei Ma et al.   APPLIED SURFACE SCIENCE

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

(2016) Dongwei Ma et al.   APPLIED SURFACE SCIENCE

Modulating electronic, magnetic and chemical properties of MoS 2 monolayer sheets by substitutional doping with transition metals

(2016) Dongwei Ma et al.   APPLIED SURFACE SCIENCE

Direct Synthesis and Practical Bandgap Estimation of Multilayer Arsenene Nanoribbons

(2016) Hsu-Sheng Tsai et al.   CHEMISTRY OF MATERIALS

Detailed surface study of adsorbed nickel on Al 12 N 12 nano-cage

(2016) Ali Shokuhi Rad et al.   THIN SOLID FILMS

Characterization of temporal variations in landfill gas components inside an open solid waste dump site in Sri Lanka

(2016) Masanao Nagamori et al.   JOURNAL OF THE AIR & WASTE MANAGEMENT ASSOCIATION

Hydrogenated arsenenes as planar magnet and Dirac material

(2015) Shengli Zhang et al.   APPLIED PHYSICS LETTERS

Density functional theory and phytochemical study of 8-hydroxyisodiospyrin

(2015) Zakir Ullah et al.   JOURNAL OF MOLECULAR STRUCTURE

Structural and Electronic Properties of Layered Arsenic and Antimony Arsenide

(2015) Liangzhi Kou et al.   Journal of Physical Chemistry C

Strain-induced metal-semiconductor transition in monolayers and bilayers of gray arsenic: A computational study

(2015) Zhen Zhu et al.   PHYSICAL REVIEW B

Arsenene: Two-dimensional buckled and puckered honeycomb arsenic systems

(2015) C. Kamal et al.   PHYSICAL REVIEW B

Single-layer crystalline phases of antimony: Antimonenes

(2015) O. Üzengi Aktürk et al.   PHYSICAL REVIEW B

CO catalytic oxidation on Al-doped graphene-like ZnO monolayer sheets: a first-principles study

(2015) Dongwei Ma et al.   Journal of Materials Chemistry C

Adsorption and Diffusion of Xylene Isomers on Mesoporous Beta Zeolite

(2015) Aixia Song et al.   Catalysts

Fate and transport of pollutants through a municipal solid waste landfill leachate in Sri Lanka

(2014) S. S. R. M. D. H. R. Wijesekara et al.   Environmental Earth Sciences

DFT study of NH3 adsorption on pristine, Ni- and Si-doped graphynes

(2014) Ali Ahmadi Peyghan et al.   PHYSICS LETTERS A

Strain engineering of WS2, WSe2, and WTe2

(2014) B. Amin et al.   RSC Advances

Density-functional calculations of HCN adsorption on the pristine and Si-doped graphynes

(2013) Javad Beheshtian et al.   STRUCTURAL CHEMISTRY

Sensitivity of Boron Nitride Nanotubes toward Biomolecules of Different Polarities

(2011) Saikat Mukhopadhyay et al.   Journal of Physical Chemistry Letters

Semiconducting metal oxides as sensors for environmentally hazardous gases

(2011) K. Wetchakun et al.   SENSORS AND ACTUATORS B-CHEMICAL

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

Theoretical study of physisorption of nucleobases on boron nitride nanotubes: a new class of hybrid nano-biomaterials

(2010) Saikat Mukhopadhyay et al.   NANOTECHNOLOGY

Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium

(2009) S. Cahangirov et al.   PHYSICAL REVIEW LETTERS