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Computational Investigation of 2d Phosphorene Sheet Towards Nh3 Gas Sensing

https://doi.org/10.2139/ssrn.4770208
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Recent Advances in Emerging 2D Material‐Based Gas Sensors: Potential in Disease Diagnosis
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High‐Performance Phosphorene‐Based Transistors Using a Novel Exfoliation‐Free Direct Crystallization on Silicon Substrates
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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
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Phosphorene as H2S and CH4 Gas Sensor
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Phosphorene: what can we know from computations?
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Handbook of Gas Sensor Materials: Properties, Advantages and Shortcomings for Applications Volume 1: Conventional Approaches
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Computational study of H2S adsorption on the pristine and transitional metal-doped phosphorene
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A DFT study of NO2 and SO2 gas-sensing properties of InX (X = Cl, Br and I) monolayers
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Ammonia in the atmosphere: a review on emission sources, atmospheric chemistry and deposition on terrestrial bodies
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A Review on Applications of Layered Phosphorus in Energy Storage
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Two-Dimensional Black Phosphorus: An Emerging Anode Material for Lithium-Ion Batteries
inferredcites →https://doi.org/10.1016/j.apsusc.2019.143660openalex-extracted
Ultrahigh-sensitive gas sensors based on doped phosphorene: A first-principles investigation
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NH3, PH3, AsH3 adsorption and sensing on rare earth metal doped graphene: DFT insights
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Gas adsorption on MoS2 monolayer from first-principles calculations
inferredcites →https://doi.org/10.1016/j.ijhydene.2016.10.108openalex-extracted
Hydrogen separation by porous phosphorene: A periodical DFT study
inferredcites →https://doi.org/10.1016/j.jpcs.2020.109765openalex-extracted
Scandium doping of black phosphorene for enhanced sensitivity to hydrogen sulfide: Periodic DFT calculations
inferredcites →https://doi.org/10.1016/j.physe.2020.114224openalex-extracted
Adsorption behavior of Rh-doped MoS2 monolayer towards SO2, SOF2, SO2F2 based on DFT study
inferredcites →https://doi.org/10.1016/j.sna.2020.111875openalex-extracted
Transition metal dichalcogenides-based flexible gas sensors
inferredcites →https://doi.org/10.1016/j.talanta.2019.06.034openalex-extracted
Ammonia gas sensors: A comprehensive review
inferredcites →https://doi.org/10.1021/acsami.5b03737openalex-extracted
Monolayer Ti 2 CO 2 : A Promising Candidate for NH 3 Sensor or Capturer with High Sensitivity and Selectivity
inferredcites →https://doi.org/10.1021/acssensors.9b01308openalex-extracted
Ti3C2 MXene-Based Sensors with High Selectivity for NH3 Detection at Room Temperature
inferredcites →https://doi.org/10.1021/cr00005a013openalex-extracted
A quantum theory of molecular structure and its applications
inferredcites →https://doi.org/10.1021/jp504199ropenalex-extracted
Graphene-Based Sensors: Theoretical Study
inferredcites →https://doi.org/10.1021/jp5110938openalex-extracted
Tuning the Electronic and Magnetic Properties of Phosphorene by Vacancies and Adatoms
inferredcites →https://doi.org/10.1021/jz500409mopenalex-extracted
Bilayer Phosphorene: Effect of Stacking Order on Bandgap and Its Potential Applications in Thin-Film Solar Cells
inferredcites →https://doi.org/10.1021/nn501226zopenalex-extracted
Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility
inferredcites →https://doi.org/10.1038/s41467-020-15092-4openalex-extracted
Nanohybrids of a MXene and transition metal dichalcogenide for selective detection of volatile organic compounds
inferredcites →https://doi.org/10.1038/srep06677openalex-extracted
Layer-dependent Band Alignment and Work Function of Few-Layer Phosphorene
inferredcites →https://doi.org/10.1038/srep08501openalex-extracted
Strongly anisotropic in-plane thermal transport in single-layer black phosphorene
inferredcites →https://doi.org/10.1039/c7ra10537aopenalex-extracted
SnO 2 /SnS 2 nanotubes for flexible room-temperature NH 3 gas sensors
inferredcites →https://doi.org/10.1039/d0cp00427hopenalex-extracted
Remarkable improvement in phosgene detection with a defect-engineered phosphorene sensor: first-principles calculations
inferredcites →https://doi.org/10.1039/d1tc01510aopenalex-extracted
Pt-decorated phosphorene as a propitious room temperature VOC gas sensor for sensitive and selective detection of alcohols
inferredcites →https://doi.org/10.1063/1.1564060openalex-extracted
Hybrid functionals based on a screened Coulomb potential
inferredcites →https://doi.org/10.1063/1.3185673openalex-extracted
Can short-range hybrids describe long-range-dependent properties?
inferredcites →https://doi.org/10.1063/1.4983310openalex-extracted
Gas sensing in 2D materials
inferredcites →https://doi.org/10.1088/0953-8984/21/39/395502openalex-extracted
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
inferredcites →https://doi.org/10.1088/0953-8984/21/8/084204openalex-extracted
A grid-based Bader analysis algorithm without lattice bias
inferredcites →https://doi.org/10.1088/0957-4484/22/38/385502openalex-extracted
Adsorption of gas molecules on transition metal embedded graphene: a search for high-performance graphene-based catalysts and gas sensors
inferredcites →https://doi.org/10.1088/1367-2630/16/11/115004openalex-extracted
Topological origin of quasi-flat edge band in phosphorene
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-extracted
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevlett.112.176801openalex-extracted
Strain-Induced Gap Modification in Black Phosphorus
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-extracted
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.3390/s18113638openalex-extracted
2D Materials for Gas Sensing Applications: A Review on Graphene Oxide, MoS2, WS2 and Phosphorene
inferredcites →https://doi.org/10.3390/s21041443openalex-extracted
A Review on Functionalized Graphene Sensors for Detection of Ammonia
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