M-cymene and m-xylene adsorption studies on hex-star arsenene nanosheets – a DFT investigation

Interpenetrated metal-organic frameworks with enhanced photoluminescence for selective recognition of m‑xylene from xylene isomers

(2022) Xiuling Zhang et al.   DALTON TRANSACTIONS

Carbonyl sulfide and dimethyl sulfide adsorption studies on novel square-octagon antimonene sheets – A first-principles study

(2022) V. Nagarajan et al.   CHEMICAL PHYSICS

Chemisorption of atrazine and diuron molecules on γ-arsenene nanosheet - a first-principles study

(2022) M.S. Jyothi et al.   CHEMICAL PHYSICS LETTERS

First-principles insight into two-dimensional palladium phosphide tellurium (PdPTe) monolayer as a promising scavenger for detecting SF6 decompositions

(2022) Aref Aasi et al.   JOURNAL OF MATERIALS SCIENCE

Methylcyclohexane and methyl methacrylate sensing studies using γ-arsenene nanoribbon – A first-principles investigation

(2022) R. Chandiramouli et al.   Computational and Theoretical Chemistry

Sorption studies of dimethyl sulfoxide and tetrahydrofuran on gamma arsenene nanotubes – A first-principles study

(2022) V. Nagarajan et al.   APPLIED SURFACE SCIENCE

SF6 and SOF2 interaction studies on novel Tricycle Red Phosphorene sheets based on first-principles studies

(2022) V. Nagarajan et al.   CHEMICAL PHYSICS LETTERS

Physisorption of trichloroethylene and tetrachloroethylene on novel zeta arsenene nanotubes – A first-principles study

(2022) M.S. Jyothi et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Impact of different structural defects on fundamental properties of blue phosphorene nanotubes

(2022) J.M. Vergara et al.   Computational Condensed Matter

Structure Prototype Outperforming MXenes in Stability and Performance in Metal‐Ion Batteries: A High Throughput Study

(2021) Minglei Sun et al.   Advanced Energy Materials

Interaction studies of dichlobenil and isoproturon on square-octagon phosphorene nanotube based on DFT frame work

(2021) M.S. Jyothi et al.   CHEMICAL PHYSICS LETTERS

Adsorption behaviour of sulfisoxazole molecules on tricycle arsenene nanoribbon - a first-principles study

(2021) M.S. Jyothi et al.   JOURNAL OF MOLECULAR LIQUIDS

First-principles studies on sensing properties of delta arsenene nanoribbons towards hexane and heptane molecules

(2021) J. Princy Maria et al.   Computational and Theoretical Chemistry

Ngn (Ng= Ne, Ar, Kr, Xe, and Rn; n=1, 2) encapsulated porphyrin-like porous C24N24 fullerene: A quantum chemical study

(2021) Hadi Parsa et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Twisted bilayer arsenene sheets as a chemical sensor for toluene and M-xylene vapours – A DFT investigation

(2021) V. Nagarajan et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

A stretchable, room-temperature operable, chemiresistive gas sensor using nanohybrids of reduced graphene oxide and zinc oxide nanorods

(2021) Dong-Bin Moon et al.   SENSORS AND ACTUATORS B-CHEMICAL

2D Arsenene and Arsenic Materials: Fundamental Properties, Preparation, and Applications

(2021) Yi Hu et al.   Small

Interaction studies of benzene and phenol on novel 4–8 arsenene nanotubes – A DFT insight

(2021) M.S. Jyothi et al.   Computational and Theoretical Chemistry

Arsenene: A Potential Therapeutic Agent for Acute Promyelocytic Leukaemia Cells by Acting on Nuclear Proteins

(2020) Xiuxiu Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Effects of single vacancy on electronic properties of blue-phosphorene nanotubes

(2020) J M Vergara et al.   Materials Research Express

Doped Arsenene Nanoribbon as a Promising Candidate for Sensing Toxic Gas Molecules: Theoretical Approach

(2020) Bahar Meshginqalam et al.   IEEE SENSORS JOURNAL

2D Material Chemistry: Graphdiyne-based Biochemical Sensing

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

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

(2020) Mahdi Ghadiri et al.   MOLECULAR SIMULATION

Sulfur-Doped Titanium Carbide MXenes for Room Temperature Gas Sensing

(2020) Shoumya Nandy Shuvo et al.   ACS Sensors

Highly tunable gas sensing performance of graphene-metal contact by gate bias

(2020) Xiangrui Bu et al.   MATERIALS LETTERS

Novel green phosphorene as a superior chemical gas sensing material

(2020) T. Kaewmaraya et al.   JOURNAL OF HAZARDOUS MATERIALS

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

(2020) Zongyu Huang et al.   Nano Today

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

(2020) M.S. Jyothi et al.   Computational and Theoretical Chemistry

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

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

Nitrogen mustard gas molecules and α-arsenene nanosheet interaction studies – A DFT insight

(2019) R. Bhuvaneswari et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

QuantumATK: an integrated platform of electronic and atomic-scale modelling tools

(2019) Søren Smidstrup et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

(2018) Seon Joon Kim et al.   ACS Nano

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

Electronic and optical properties of functionalized zigzag ZnO nanotubes

(2018) Anurag Srivastava et al.   JOURNAL OF MOLECULAR MODELING

Adsorption characteristics of DNA nucleobases, aromatic amino acids and heterocyclic molecules on silicene and germanene monolayers

(2018) Tanveer Hussain et al.   SENSORS AND ACTUATORS B-CHEMICAL

C 3 N monolayers as promising candidates for NO 2 sensors

(2018) Dongwei Ma et al.   SENSORS AND ACTUATORS B-CHEMICAL

Biological methods for odor treatment – A review

(2017) Krzysztof Barbusinski et al.   JOURNAL OF CLEANER PRODUCTION

Theoretical study of phosphorene multilayers: optical properties and small organic molecule physisorption

(2017) Diego A. Ospina et al.   JOURNAL OF MATERIALS SCIENCE

DFT study of boron trichloride adsorption on the surface of Al12N12 nanocluster

(2017) Ali Shokuhi Rad et al.   MOLECULAR PHYSICS

Emerging Trends in Phosphorene Fabrication towards Next Generation Devices

(2017) Sathish Chander Dhanabalan et al.   Advanced Science

Geographical provenience differentiation and adulteration detection of cumin by means of electronic sensing systems and SPME-GC-MS in combination with different chemometric approaches

(2016) Khalid Tahri et al.   Analytical Methods

Density functional theory computational study on solvent effect, molecular conformations, energies and intramolecular hydrogen bond strength in different possible nano-conformers of acetaminophen

(2016) Mehdi Yoosefian et al.   JOURNAL OF MOLECULAR LIQUIDS

First-principles prediction of a novel hexagonal phosphorene allotrope

(2016) Mei Xu et al.   Physica Status Solidi-Rapid Research Letters

Prioritisation of odorants emitted from sewers using odour activity values

(2016) Eric C. Sivret et al.   WATER RESEARCH

Ultrasensitive reversible oxygen sensing by using liquid-exfoliated MoS2 nanoparticles

(2016) Yeon Hoo Kim et al.   Journal of Materials Chemistry A

Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities

(2015) Shengli Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Liquid-Phase Co-Exfoliated Graphene/MoS2 Nanocomposite for Methanol Gas Sensing

(2015) Shao-Lin Zhang et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

Ultrahigh sensitivity and layer-dependent sensing performance of phosphorene-based gas sensors

(2015) Shumao Cui et al.   Nature Communications

Graphene oxide for gas detection under standard humidity conditions

(2015) Maurizio Donarelli et al.   2D Materials

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

(2014) Han Liu et al.   ACS Nano

Band gap tunning in BN-doped graphene systems with high carrier mobility

(2014) T. P. Kaloni et al.   APPLIED PHYSICS LETTERS

Black phosphorus field-effect transistors

(2014) Likai Li et al.   Nature Nanotechnology

Ammonia monitoring by carbon nitride nanotubes: A density functional study

(2013) Javad Beheshtian et al.   THIN SOLID FILMS

Synthesis, Characterization, and m-Xylene Sensing Properties of Co-ZnO Composite Nanofibers

(2011) Li Liu et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY