Electronic structure of polythiophene gas sensors for chlorinated analytes
Published 2020 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Electronic structure of polythiophene gas sensors for chlorinated analytes
Authors
Keywords
-
Journal
JOURNAL OF MOLECULAR MODELING
Volume 26, Issue 3, Pages -
Publisher
Springer Science and Business Media LLC
Online
2020-02-03
DOI
10.1007/s00894-020-4287-x
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Comparative investigation of sensor application of polypyrrole for gaseous analytes
- (2019) Hasnain Sajid et al. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
- Effects of Cl 2 adsorption over the optical and electronic properties of Al 12 N 12 and Al 12 CN 11 fullerenes: Density functional theory study
- (2018) Fatemeh Azimi et al. PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
- Sensing methamphetamine with chemiresistive sensors based on polythiophene-blended single-walled carbon nanotubes
- (2018) Yaqiong Zhang et al. SENSORS AND ACTUATORS B-CHEMICAL
- Flexible poly (3, 3′′′- dialkylquaterthiophene) based interdigitated metal-semiconductor-metal ammonia gas sensor
- (2018) Chandan Kumar et al. SENSORS AND ACTUATORS B-CHEMICAL
- High sensitivity of polypyrrole sensor for uric acid over urea, acetamide and sulfonamide: A density functional theory study
- (2018) Hasnain Sajid et al. SYNTHETIC METALS
- Sensor applications of polypyrrole for oxynitrogen analytes: a DFT study
- (2018) Fatima Wasim et al. JOURNAL OF MOLECULAR MODELING
- An accurate comparative theoretical study of the interaction of furan, pyrrole, and thiophene with various gaseous analytes
- (2017) Hasnain Sajid et al. JOURNAL OF MOLECULAR MODELING
- Enhanced UV and ethanol vapour sensing of a single 3-D ZnO tetrapod alloyed with Fe 2 O 3 nanoparticles
- (2017) Oleg Lupan et al. SENSORS AND ACTUATORS B-CHEMICAL
- Facile chemical bath deposition method for interconnected nanofibrous polythiophene thin films and their use for highly efficient room temperature NO 2 sensor application
- (2017) Deepak B. Kamble et al. SENSORS AND ACTUATORS B-CHEMICAL
- Toxic CO detection by Li-encapsulated fullerene-like BeO
- (2017) Javad Beheshtian et al. STRUCTURAL CHEMISTRY
- A density functional theory study of the adsorption behaviour of CO2 on Cu2O surfaces
- (2016) Abhishek Kumar Mishra et al. JOURNAL OF CHEMICAL PHYSICS
- The polythiophene molecular segment as a sensor model for H2O, HCN, NH3, SO3, and H2S: a density functional theory study
- (2016) Ali Shokuhi Rad et al. JOURNAL OF MOLECULAR MODELING
- Quantitative Estimation of Exciton Binding Energy of Polythiophene-Derived Polymers Using Polarizable Continuum Model Tuned Range-Separated Density Functional
- (2016) Haitao Sun et al. Journal of Physical Chemistry C
- Ammonia gas-sensing based on polythiophene film prepared through electrophoretic deposition method
- (2016) H. Malkeshi et al. JOURNAL OF POLYMER RESEARCH
- An accurate cost effective DFT approach to study the sensing behaviour of polypyrrole towards nitrate ions in gas and aqueous phases
- (2016) Fatima Wasim et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Interaction of SO2 and SO3 on terthiophene (as a model of polythiophene gas sensor): DFT calculations
- (2015) Ali Shokuhi Rad et al. CHEMICAL PHYSICS LETTERS
- Polythiophene/graphene composite as a highly efficient platinum-free counter electrode in dye-sensitized solar cells
- (2015) Chandramika Bora et al. ELECTROCHIMICA ACTA
- Computational studies of boron- and nitrogen-doped single-walled carbon nanotubes as potential sensor materials of hydrogen halide molecules HX (X = F, Cl, Br)
- (2015) Yuriy Hizhnyi et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Molecular and Electronic Structure Elucidation of Polypyrrole Gas Sensors
- (2015) Salma Bibi et al. Journal of Physical Chemistry C
- Quantum chemical investigation of spectroscopic studies and hydrogen bonding interactions between water and methoxybenzeylidene-based humidity sensor
- (2015) Shabbir Muhammad et al. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
- Combined experimental and theoretical study of poly(aniline- co -pyrrole) oligomer
- (2015) Muhammad Kamran et al. POLYMER
- Ab-initio study of interaction of some atmospheric gases (SO2, NH3, H2O, CO, CH4 and CO2) with polypyrrole (3PPy) gas sensor: DFT calculations
- (2015) Ali Shokuhi Rad et al. SENSORS AND ACTUATORS B-CHEMICAL
- Ab-initio and DFT calculations on molecular structure, NBO, HOMO–LUMO study and a new vibrational analysis of 4-(Dimethylamino) Benzaldehyde
- (2015) Mariana Rocha et al. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
- Counterpoise-corrected energies, NBO, HOMO–LUMO and interaction energies of poly( o -aminophenol) for ammonia sensing by DFT methods
- (2015) Salma Bilal et al. SYNTHETIC METALS
- DFT study of structural, vibrational and electronic properties of polyaniline pernigraniline model compounds
- (2015) Abhishek Kumar Mishra Journal of Computational Science
- Doping and Dedoping Processes of Polypyrrole: DFT Study with Hybrid Functionals
- (2014) Habib Ullah et al. Journal of Physical Chemistry C
- Selective detection of F2 in the presence of CO, N2, O2, and H2 molecules using a ZnO nanocluster
- (2014) Ali Ahmadi Peyghan et al. MONATSHEFTE FUR CHEMIE
- Synthesis of polythiophene/graphene oxide composites by interfacial polymerization and evaluation of their electrical and electrochemical properties
- (2014) Chandramika Bora et al. POLYMER INTERNATIONAL
- Room temperature NO2 sensing properties of polythiophene films
- (2014) S.T. Navale et al. SYNTHETIC METALS
- Factors affecting the strengths of σ-hole electrostatic potentials
- (2014) Jane S. Murray et al. Journal of Computational Science
- Density Functional Theory Study of Poly(o-phenylenediamine) Oligomers
- (2013) Habib Ullah et al. Journal of Physical Chemistry C
- DFT Study of Polyaniline NH3, CO2, and CO Gas Sensors: Comparison with Recent Experimental Data
- (2013) Habib Ullah et al. Journal of Physical Chemistry C
- Chlorine molecule adsorbed on graphene and doped graphene: A first-principle study
- (2013) Xu-Ying Liu et al. PHYSICA B-CONDENSED MATTER
- Theoretical insight of polypyrrole ammonia gas sensor
- (2013) Habib Ullah et al. SYNTHETIC METALS
- Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds
- (2012) Kevin E. Riley et al. JOURNAL OF MOLECULAR MODELING
- Optical chemical sensors using polythiophene derivatives as active layer for detection of volatile organic compounds
- (2011) V.C. Gonçalves et al. SENSORS AND ACTUATORS B-CHEMICAL
- Gabedit-A graphical user interface for computational chemistry softwares
- (2010) Abdul-Rahman Allouche JOURNAL OF COMPUTATIONAL CHEMISTRY
- Thickness changes in polythiophene gas sensors exposed to vapor
- (2010) F. Liao et al. SENSORS AND ACTUATORS B-CHEMICAL
- A ComparativeAb Initioand DFT Study of Polyaniline Leucoemeraldine Base and Its Oligomers
- (2009) Abhishek Kumar Mishra et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Chemical Vapor Detection Using Parent Polythiophene Nanofibers
- (2009) Vineet Dua et al. MACROMOLECULES
- Optical Detection of DNA and Proteins with Cationic Polythiophenes
- (2008) Hoang-A. Ho et al. ACCOUNTS OF CHEMICAL RESEARCH
- Processing Matters: In situ Fabrication of Conducting Polymer Microsensors Enables Ultralow-Limit Gas Detection
- (2008) Mianqi Xue et al. ADVANCED MATERIALS
- A selective conductive polymer-based sensor for volatile halogenated organic compounds (VHOC)
- (2008) Rosamaria W.C. Li et al. SENSORS AND ACTUATORS B-CHEMICAL
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started