A5084289672- Perovskite Materials and Applications
- 2D Materials and Applications
- Quantum Dots Synthesis And Properties
- Graphene research and applications
- MXene and MAX Phase Materials
- Chalcogenide Semiconductor Thin Films
- Conducting polymers and applications
- Gas Sensing Nanomaterials and Sensors
- Solid-state spectroscopy and crystallography
- Organic Light-Emitting Diodes Research
- Boron and Carbon Nanomaterials Research
- Advanced Photocatalysis Techniques
- Advanced Thermoelectric Materials and Devices
- Topological Materials and Phenomena
- Luminescence Properties of Advanced Materials
- Electrochemical sensors and biosensors
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Magnetic and transport properties of perovskites and related materials
- Analytical Chemistry and Sensors
- Lanthanide and Transition Metal Complexes
- Organic Electronics and Photovoltaics
- Nanocluster Synthesis and Applications
- GaN-based semiconductor devices and materials
- Supercapacitor Materials and Fabrication
Eindhoven University of Technology
2018-2025
System Simulation (United Kingdom)
2025
Université de Rennes
2022-2025
Université Rennes 2
2025
Fonctions Optiques pour les Technologies de l’information
2023-2025
École Nationale Supérieure de Chimie de Rennes
2022-2024
Centre National de la Recherche Scientifique
2022-2024
Institut National des Sciences Appliquées de Rennes
2023-2024
Institut des Sciences Chimiques de Rennes
2022-2023
Guilin University of Electronic Technology
2014-2018
Metal-halide perovskites are promising materials for future optoelectronic applications. One intriguing property, important many applications, is the tunability of band gap via compositional engineering. While experimental reports on changes in absorption or photoluminescence show rather good agreement wide variety compounds, physical origins these changes, namely variations valence and conduction positions, not well characterized. Knowledge positions importance optimizing energy level...
Abstract Single‐component emitters with stable and bright warm white‐light emission are highly desirable for high‐efficacy white light‐emitting diodes (warm‐WLEDs), however, materials such luminescence properties extremely rare. Lowdimensional lead (Pb) halide perovskites can achieve photoluminescence (PL), yet they suffer from low stability PL quantum yield (PLQY). While Pb‐free air‐stable as Cs 2 AgInCl 6 emit light, sophisticated doping strategies typically required to increase their...
The achievement of significant photoluminescence (PL) in lanthanide ions (Ln3+ ) has primarily relied on host sensitization, where energy is transferred from the excited material to Ln3+ ions. However, this luminous mechanism involves only one optical antenna, namely material, which limits accessibility excitation wavelength-dependent (Ex-De) PL. Consequently, wider application light-emitting devices hindered. In study, we present an organic-inorganic compound, (DMA)4 LnCl7 (DMA+ =[CH3 NH2...
A recent theoretical report discovered that the relatively new Janus γ-Sn2XY (X ≠ Y = Te, Se, and S) monolayers possess enhanced piezoelectricity performance, with a reported near Shockley–Queisser limit band gap (Eg) high carrier mobility. Inspired by these positive traits, further detailed studies on their untested green energy conversion properties are warranted. Herein, unexplored thermoelectric photocatalytic of materials have been extensively investigated using first-principles density...
In this work, the structural, electronic and optical properties of novel atomically thin systems based on germanene antimonene nanocomposites have been investigated by means density functional theory.
Recent reports focus on the experimental preparation of metal monolayer-stanene which is a zero-gap semiconductor with buckled honeycomb structure. Owing to outstanding properties stanene, its promising applications in nanoelectronics are widely concerned and studied. Using first-principles calculations, we investigate adsorption behavior CO, NH3, H2O, H2S, O2, NO, NO2 molecules stanene sheet based energetics, charge transfer, work function. We determine optimal sites small molecule styles...
The structural, electronic and optical properties of the graphene hybrid with stanene, tin counterpart graphene, are investigated by means density functional calculation observation band gap opening enhanced visible light response. lattice mismatch between stanene is taken into consideration several stacking methods for model construction proposed to study possible effects. Dirac feature can be observed in this bilayer system relatively stronger interlayer interaction than weak van der Waals...
The gas-adsorption behaviors of the pristine antimonene are investigated by first principles calculations to exploit its potential for high-performance gas sensing. results show that atmospheric molecules (N <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> , CO O and H O) presented ubiquitously in sensing environments weakly bind antimonene, while polluted adsorbates (NH xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> SO NO, NO )...
Trioctylphosphine (TOP)-based syntheses of CsPbI3 perovskite quantum dots (QDs) yield unprecedented high photoluminescence (PL QY), lower Stokes shifts, and longer carrier lifetimes due to their enhanced crystallinity. This synthetic route relies on a heavily Pb-rich condition or large Pb:Cs molar ratio in precursor solution produce QDs with appropriate stoichiometry as well guarantee good colloidal stability. The Pb is achieved by concentration PbI2 prepared TOP. Here we find such...
The adsorption behaviors of sulfur dioxide (SO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> ) gas molecule over pristine, boron-, silicon-, sulfur-, and nitrogen-doped phosphorenes are theoretically studied using first-principles approach based on density-functional theory. energy (E xmlns:xlink="http://www.w3.org/1999/xlink">a</sub> ), distance (d), Mulliken charge (Q) SO molecules adsorbed the different calculated. simulation...
By means of comprehensive first-principles calculations, we investigate the stability, electronic and optical properties an AlAs/germanene heterostructure.
Development of nanoelectronics requires two-dimensional (2D) systems with both direct-bandgap and tunable electronic properties as they act in response to the external electric field (<italic>E</italic>-field).
Because of its thermal stability, lead-free composition, and nearly ideal optical electronic properties, the orthorhombic CsSnI3 perovskite is considered promising as a light absorber for all-inorganic solar cells. However, susceptibility this three-dimensional toward oxidation in air has limited development cells based on material. Here, we report findings computational study which identifies Rb y Cs1-y Sn(Br x I1-x )3 perovskites cell applications, prepared by substituting cations (Rb Cs)...
Polycrystalline perovskite films fabricated on flexible and textured substrates often are highly defective, leading to poor performance of devices. Finding substrate-tolerant fabrication strategies is therefore paramount. Herein, this study shows that adding a small amount Cadmium Acetate (CdAc2 ) in the PbI2 precursor solution results nano-hole array improves diffusion organic salts promotes favorable crystal orientation suppresses non-radiative recombination. substrate with ultra-long...
Ferromagnetic character and biocompatible properties have become key factors for developing next-generation spintronic devices show potential in biomedical applications. Unfortunately, the Mn-containing monolayer is not though it has been extensively studied, Cr-containing environmental friendly, although these monolayers are ferromagnetic. Herein, we systematically investigated new types of 2D ferromagnetic Nb3X8 (X = Cl, Br or I) by means first principles calculations together with mean...
Abstract We present a first-principles density functional theory study focused on how the chemical and electronic properties of polyaniline are adjusted by introducing suitable substituents polymer backbone. Analyses obtained energy barriers, reaction energies minimum paths indicate that reactivity derivatives is significantly enhanced protonic acid doping substituted materials. Further states at Fermi level, band gap, HOMO LUMO shows both unprotonated protonated these polyanilines altered...
In this letter, the structural, electronic, and optical properties of blue phosphorene (BP) graphene-like aluminum nitride (AlN) nanocomposite are investigated by first-principles method. Despite indirect bandgap nature BP AlN monolayers, AlN/BP heterostructure exhibits a direct characteristic in most stable pattern. Moreover, we also find that optically active states maximum valence minimum conduction bands localized on opposite leading to electrons holes spontaneously separated (type-II...
Abstract Rare earth elements are widely employed and investigated as dopants in luminescent materials because of their ability to modulate hosts’ specific physical chemical properties. However, stable phosphors crystallized with pure rare few hence potential for wider utilization is largely limited. Herein, two examples cerium (Ce)‐based organic–inorganic hybrid halides, (DFPD) 4 CeX 7 (DFPD + = 4,4‐difluoropiperidinium; X − Cl Br ) (DFPD)CeCl ·2MeOH demonstrated. The compositions both...
Defect passivation using two-dimensional (2D)-layered perovskites with organic spacers on 3D bulk has been proposed as an effective strategy to improve perovskite solar cell stability and efficiency. Specifically, fluorination of the employed due resulting hydrophobic nature defect characteristics. In addition type functional groups attached spacer molecules, conformational changes fluorine isomers layered can provide extended control a variety opto-electrical properties related interlayer...
The rich and unique energy level structure arising from 4f n inner shell configuration of trivalent lanthanide ions (Ln 3+ ) renders them highly attractive for light‐emitting applications. Currently, research primarily focuses on Ln doping in either traditional garnets or the recently developed perovskite phosphors. However, there have been few reports stable phosphors crystallized with pure elements. Herein, a universal solution‐based route to eight ‐based metal halides organic‐inorganic A...
Phase-stable CsSnx Pb1-x I3 perovskite quantum dots (QDs) hold great promise for optoelectronic applications owing to their strong response in the near-infrared region. Unfortunately, optimal utilization of potential is limited by severe photoluminescence (PL) quenching, leading extremely low yields (QYs) approximately 0.3 %. The ultra-low sodium (Na) doping presented herein found be effective improving PL QYs these alloyed QDs without alerting favourable electronic structure. X-ray...
Abstract In this paper, we present a first-principles and molecular dynamics study to delineate the functionalization-induced changes in local structure physical properties of amorphous polyaniline. The results radial distribution function (RDF) demonstrate that introducing -SO 3 − Na + groups at phenyl rings leads structural both intrachain interchain ordering polyaniline shorter distances (≤5 Å). An unique RDF feature 1.8–2.1 Å regions is usually observed profiles substituted polymer (i.e....