Junke Jiang
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    • Activating the Screened Thermoelectric and Photocatalytic Water-Splitting Potential in Janus Sn2XY (X$ne$ Y= Te, Se, and S) Monolayers via Doping and Strain Engineering
    • Evidence of the As/PtSe2 Heterostructure with a Robust Built-In Electric Field as a Competitive Z-Scheme Photocatalyst for Overall Water Splitting
    • Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures
    • On-Off Switching of Singlet Self-Trapped Exciton Emission Endows Antimony-Doped Indium Halides with Excitation-Wavelength-Dependent Luminescence
    • Unlocking the porous, anomalous narrow band gap inorganic graphenylene-like CuO monolayer with post oxidation advantage for thermophotovoltaic and solar cell
    • Adsorption and reversible detection of toxic halogens gases at room temperature by two-dimensional Al2SSe for occupational sustainability
    • Computational Screening of a Single-Atom Catalyst Supported by Monolayer Nb2S2C for Oxygen Reduction Reaction
    • Electronic coupling between perovskite nanocrystal and fullerene modulates hot carrier capture
    • Extending tight-binding models from bulk to layered halide perovskites
    • Flexible and Efficient Semi-Empirical DFTB methods for Electronic Structure Prediction of 3D, 2D Perovskites and Heterostructures
    • From Dopant to Host: Solution Synthesis and Light-Emitting Applications of Organic-Inorganic Lanthanide-Based Metal Halides
    • Highly Luminescent Phase-Stable Hybrid Manganese Halides for Efficient X-ray Imaging
    • Organic-Inorganic Hybrid Cuprous-Based Metal Halides with Unique Two-Dimensional Crystal Structure for White Light-Emitting Diodes
    • The Role of the Organic Cation in Developing Efficient Green Perovskite LEDs Based on Quasi-2D Perovskite Heterostructures
    • Achieving type-II SnSSe/as van der waals heterostructure with satisfactory oxygen tolerance for optoelectronic and photovoltaic applications
    • Excitation Wavelength-Dependent Fluorescence of a Lanthanide Organic Metal Halide Cluster for Anti-Counterfeiting Applications
    • Flexible and Efficient Semi-Empirical DFTB methods for Electronic Structure Prediction of 3D, 2D and 3D/2D Halide Perovskites
    • Forecasting the unrevealed surface-controlled photocatalytic water splitting in two-dimensional Ag 2 Se with ultrafast carrier mobility: a first-principles study
    • Moisture-Insensitive, Phase-Stable Indium-Based Metal Halides and Their Light-Emitting Applications
    • Multifunctional Additive CdAc2 for Efficient Perovskite-Based Solar Cells
    • On the mechanism of solvents catalyzed structural transformation in metal halide perovskites
    • Scale-up Solutions of 2D Perovskite Photovoltaics: Insights of Multiscale Structures
    • Strain-Induced SiP--PtS2 Heterostructure with Fast Carrier Transport for Boosted Photocatalytic Hydrogen Conversion
    • Structural Isomer of Fluorinated Ruddlesden-Popper Perovskites Toward Efficient and Stable 2D/3D Perovskite Solar Cells
    • Ultraviolet Emission from Cerium-Based Organic-Inorganic Hybrid Halides and Their Abnormal Anti-Thermal Quenching Behavior
    • Boosting the solar conversion efficiency of MoSe2/PtX2 (X= O, S) vdW heterostructure by strain and electric field engineering
    • Colloidal synthesis of size-confined CsAgCl 2 nanocrystals: Implications for electroluminescence applications
    • Constructing trifunctional MoTe 2/As van der Waals heterostructures for versatile energy applications
    • Efficient Extraction of Hot Carriers in Perovskite Quantum Dot through Building State Coupled Complex
    • Filling chlorine vacancy with bromine: A two-step hot-injection approach achieving defect-free hybrid halogen perovskite nanocrystals
    • Germanium Halides Serving as Ideal Precursors: Designing a More Effective and Less Toxic Route to High-Optoelectronic-Quality Metal Halide Perovskite Nanocrystals
    • Improved Thermoelectric--Photovoltaic Performance of Ag2Se Originating from a Halogenation-Induced Wider Band Gap and Low Crystal Symmetry
    • Organic--Inorganic Hybrid Cuprous-Based Metal Halides for Warm White Light-Emitting Diodes
    • Prediction of stable silver selenide-based energy materials sustained by rubidium selenide alloying
    • Recent results on metal halide perovskites and their interfaces
    • Recent results on metal halide perovskites and their interfaces
    • Steering device-quality perovskites with unique substrate tolerance
    • The role of solvents in the formation of methylammonium lead triiodide perovskite
    • Tuning the properties of multilayered perovskites and their interfaces for optoelectronic applications
    • Effect of Co-Solvents on the Crystallization and Phase Distribution of Mixed-Dimensional Perovskites (Adv. Energy Mater. 42/2021)
    • Multifunctional molecule engineered SnO2 for perovskite solar cells with high efficiency and reduced lead leakage
    • Stabilizing metal halide perovskites by computational compositional engineering
    • Stretchable AgX (X= Se, Te) for Efficient Thermoelectrics and Photovoltaics
    • The role of sodium in stabilizing tin-lead (Sn-Pb) alloyed perovskite quantum dots
    • Ultra-Halide-Rich Synthesis of Stable Pure Tin-Based Halide Perovskite Quantum Dots: Implications for Photovoltaics
    • Alkali-cation-enhanced benzylammonium passivation for efficient and stable perovskite solar cells fabricated through sequential deposition
    • Angewandte
    • Atomistic and Electronic Origin of Phase Instability of Metal Halide Perovskites
    • Microscopic Degradation in Formamidinium-Cesium Lead Iodide Perovskite Solar Cells under Operational Stressors
    • Near-Infrared Emission from Tin--Lead (Sn--Pb) Alloyed Perovskite Quantum Dots by Sodium Doping
    • The Impacts and Origins of A-site Instability in Formamidinium-Cesium Lead Iodide Perovskite Solar Cells Under Extended Operation
    • An example preprint / working paper
    • Absolute energy level positions in tin-and lead-based halide perovskites. Nat Commun 10: 2560
    • GeI2 Additive for High Optoelectronic Quality CsPbI3 Quantum Dots and Their Application in Photovoltaic Devices
    • Influence of ion-exchange on lead-free inorganic Sn halide Perovskites
    • Novel GaN-based nanocomposites: Effective band structure and optical property tuning by tensile strain or external field
    • Partially replacing Pb2+ by Mn2+ in hybrid metal halide perovskites: Structural and electronic properties
    • Stabilizing lead-free all-inorganic tin halide Perovskites by ion exchange
    • Tunable electronic properties of silicene/GaP heterobilayer: Effects of electric field or biaxial tensile strain
    • Adsorption of gas molecules on graphene-like InN monolayer: A first-principle study
    • Electrical and optical properties of NO and H 2 S adsorption on Arsenic Phosphorus
    • Exploration of new ferromagnetic, semiconducting and biocompatible Nb 3 X 8 (X= Cl, Br or I) monolayers with considerable visible and infrared light absorption
    • First principle design of CdS/germanene heterostructures with tunable electronic and transport properties
    • First principles investigation of small molecules adsorption on antimonene (EI ๆ”ถๅฝ•)
    • First-principles approach to design and evaluation of graphene as methane sensors
    • The intriguing electronic and optical properties modulation of hydrogen and fluorine codecorated silicene layers
    • Ab initio study of the adsorption of small molecules on stanene
    • Ab Initio Study of the Adsorption of Small Molecules on Stanene
    • AlN/BP heterostructure photocatalyst for water splitting
    • An AlAs/germanene heterostructure with tunable electronic and optical properties via external electric field and strain
    • Design of graphene-like gallium nitride and WS 2/WSe 2 nanocomposites for photocatalyst applications
    • Effect of multilayer structure, stacking order and external electric field on the electrical properties of few-layer boron-phosphide
    • Electrical and optical properties of germanene on single-layer BeO substrate
    • Electrical and Optical Properties of Germanene on Single-Layer BeO Substrate
    • Electronic properties and work functions of silicane/fully hydrogenated h-BN and silicane/graphane nanosheets
    • First principles investigation of small molecules adsorption on antimonene
    • First-principles study of gas adsorptin on indium nitride monolayer as gas sensor applications
    • First-principles study of sulfur dioxide sensor based on phosphorenes
    • Functionalization-induced changes in the structural and physical properties of amorphous polyaniline: a first-principles and molecular dynamics study
    • Graphane/fully hydrogenated h-BN bilayer: Marvellous dihydrogen bonding and effective band structure engineering
    • SiGe/h-BN heterostructure with inspired electronic and optical properties: a first-principles study
    • Sorption and diffusion of water vapor and carbon dioxide in sulfonated polyaniline as chemical sensing materials
    • The electronic and optical properties of silicene/g-ZnS heterobilayers: a theoretical study
    • The Influence of Tensile Stress on Polyaniline as Strain Sensor
    • Tunable electronic structure and enhanced optical properties in quasi-metallic hydrogenated/fluorinated SiC heterobilayer
    • Tuning the electronic and optical properties of graphane/silicane and fhBN/silicane nanosheets via interfacial dihydrogen bonding and electrical field control
    • Tuning the electronic properties and work functions of graphane/fully hydrogenated h-BN heterobilayers via heteronuclear dihydrogen bonding and electric field control
    • An example journal article
    • Ab initio studies of the differences in the chemical reactivity and electronic properties of polyaniline and its derivatives
    • Ab InitioStudy of Temperature, Humidity, and Covalent Functionalization-Induced Bandgap Change of Single-Walled Carbon Nanotubes
    • First-principles study of the effect of functional groups on polyaniline backbone
    • Gas adsorption on graphene with different layers: A first-principles study
    • Molecular modeling design of polyaniline as carbon dioxide sensor
    • Molecular Modeling of pH-Dependent Properties of Emeraldine Base Polyaniline for pH-Based Chemical Sensors
    • An example conference paper
    • Adsorption of gas molecules on graphene-like InN
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First-principles study of the effect of functional groups on polyaniline backbone

Jan 1, 2015ยท
XP Chen
,
JK Jiang
,
QH Liang
,
N Yang
,
HY Ye
,
M Cai
,
L Shen
,
DG Yang
,
TL Ren
ยท 0 min read
Cite
Type
Journal article
Publication
Scientific reports
Last updated on Jan 1, 2015
← Ab InitioStudy of Temperature, Humidity, and Covalent Functionalization-Induced Bandgap Change of Single-Walled Carbon Nanotubes Jan 1, 2015
Gas adsorption on graphene with different layers: A first-principles study Jan 1, 2015 →

ยฉ 2025 Junke Jiang. This work is licensed under CC BY NC ND 4.0

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