Keywords: انرژی بازسازی; Furan-phenylene copolymer; Structural and electronic properties; Reorganization energy; Open circuit voltage; Photovoltaic devices; Density functional theory;
مقالات ISI انرژی بازسازی (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: انرژی بازسازی; Functionalization; Anthracene; Tetracene; Reorganization energy; HOMO-LUMO energy gap;
Keywords: انرژی بازسازی; Redox-mediated tunneling contacts; Tunneling current; Reorganization energy; Exact identities; Tunnel current/overvoltage characteristics; The points of extrema;
Keywords: انرژی بازسازی; Donor-acceptor system; Photoinduced electron transfer; Charge-separated state; Lifetime; Driving force; Reorganization energy;
Keywords: انرژی بازسازی; Five-ring-fused benzothiophene derivatives; syn- and anti-isomers; Centralization and decentralization; Reorganization energy; The distribution of HOMO;
Keywords: انرژی بازسازی; Non-adiabatic electron transfer; Electrode kinetics; Electrochemical rate constant; Reorganization energy; Approximations
Keywords: انرژی بازسازی; Graphene nanoparticles; Optoelectronics; Density functional theory (DFT); Oxidation/reduction potential; Reorganization energy; Thermally activated delayed fluorescence (TADF); I-V curves; Thermoelectric coefficients;
Keywords: انرژی بازسازی; Organic solar cells; DFT; Indacene; Reorganization energy;
Keywords: انرژی بازسازی; Reorganization energy; Barrierless discharge; Ideal activation energy; Real activation energy;
Keywords: انرژی بازسازی; Hopping mobility; Electron-phonon coupling; Hole-vibration coupling; Vibronic satellite; HOMO fine feature; Polaron; Reorganization energy; Relaxation energy; Ultraviolet photoelectron spectroscopy; Organic semiconductor; Pentacene, Perfluoropentacene;
Keywords: انرژی بازسازی; Density functional theory; Time dependent density functional theory; Frontier molecular orbitals; Ionization potential; Reorganization energy
Keywords: انرژی بازسازی; Charge transport; Density functional theory; Electronic structure; Reorganization energy;
Keywords: انرژی بازسازی; Charge transfer; Donor–acceptor; Electronic coupling; Reorganization energy
Theoretical studies on 4H-cyclopenta[2,1-b:3,4-bâ²]dithiophene-based Windmill-shaped nanogrids with low reorganization energies
Keywords: انرژی بازسازی; Reorganization energy; Strain energy; Noncovalent interaction; Molecular orbital; DFT;
Linear, non-linear optical properties and reorganization energies of D- Ï-A star-shaped triazine derivatives: A DFT study
Keywords: انرژی بازسازی; Donor/acceptor; Charge delocalization; First hyperpolarizability; Organic push-pull molecules; Reorganization energy;
Electron injection from a carboxylic anchoring dye to TiO2 nanoparticles in aprotic solvents
Keywords: انرژی بازسازی; Dye sensitized solar cell; Electron injection; TiO2 nanoparticles; para-Ethyl Red; Aprotic solvent; Reorganization energy; Transient absorption; Ultrafast;
Theoretical investigations on nonlinear fused 4-ring systems: Application to OLED and NLO devices
Keywords: انرژی بازسازی; Nonlinear acenes; Reorganization energy; Nonlinear optics; OLED; DFT;
Charge injection and hopping transport in bridged-dithiophene-triazole-bridged-dithiophene (DT-Tr-DT) conducting oligomers: A DFT approach
Keywords: انرژی بازسازی; Optoelectronic properties; Triazole; DFT; TDDFT; Reorganization energy; Hole transfer rates;
Designing dibenzosilole and methyl carbazole based donor materials with favourable photovoltaic parameters for bulk heterojunction organic solar cells
Keywords: انرژی بازسازی; Absorption; Dibenzosilole; Computational chemistry; Methyl carbazole; Reorganization energy;
Shell effect on the electron and hole reorganization energy of core-shell II-VI nanoclusters
Keywords: انرژی بازسازی; II-VI cluster; Core-shell structure; Reorganization energy; Electron-hole pair;
Investigation on the effect of connected bridge on thermally activated delayed fluorescence property for DCBPy emitter
Keywords: انرژی بازسازی; Reorganization energy; Singlet-triplet energy gap; Radiative decay rate constant; Spin-orbital coupling matrix elements;
Study of the influence of functionalization on the reorganization energy of naphthalene using DFT
Keywords: انرژی بازسازی; Reorganization energy; Density functional theory; Functionalization; Naphthalene derivatives;
DFT estimates of water environment impact on the reversible 2eâ + 2H+ oxidation of aniline tetramer
Keywords: انرژی بازسازی; Molecular structure; Reaction energy; Reorganization energy; Electrode potentials; Redox; Polarizable Continuum Model (PCM); Polarizable Conductor Calculation Model (CPCM); Polyaniline (PANI); Ionization energy; Electron affinity; Density Functional Theor
Systematic color tuning of a family of firefly oxyluciferin analogues suitable for OLED applications
Keywords: انرژی بازسازی; Ionization potential and electron affinity; Reorganization energy; Exciton-formation fractions; TDDFT; Firefly oxyluciferin
Computational studies of hole/electron transport in positional isomers of linear oligo-thienoacenes: Evaluation of internal reorganization energies using density functional theory
Keywords: انرژی بازسازی; Hole transport; Electron transport; Reorganization energy; DFT/TDDFT;
Theoretical investigation of the static (hyper)polarizabilities and reorganization energy of 4,5-dicyanoimidazole chromophore and derivatives containing benzene rings and a saturated bridge
Keywords: انرژی بازسازی; Polarizability; Hyperpolarizability; Reorganization energy; 4,5-dicyanoimidazole chromophore; DFT; MP2;
Theoretical design of triphenylamine-based derivatives with asymmetric D–D–π–A configuration for dye-sensitized solar cells
Keywords: انرژی بازسازی; Density functional theory; Long-range corrected functional; Electron injection; Dye regeneration; Reorganization energy; Electron lifetime
DFT study of the electronic and charge transfer properties of perfluoroarene–thiophene oligomers
Keywords: انرژی بازسازی; Optical materials; HOMO; LUMO; Optical properties; Reorganization energy
Fused oligothiophene and -selenophene: A DFT insight
Keywords: انرژی بازسازی; Fused oligoselenophenes; Reorganization energy; Conjugated polymers; Cation radical; Dication; Density functional theory calculations
A theoretical study on optical and charge transport properties of anthra-[1,2-b:4,3-bâ²:5,6-bâ³:8,7-bâ´]tetrathiophene molecules
Keywords: انرژی بازسازی; Absorption and emission spectra; Charge transfer integral; Reorganization energy; Site energy; Charge carrier mobility;
Structural, electronic and charge transfer studies of dianthra[2,3-b:2â²,3â²-f]thieno[3,2-b]thiophene and its analogues: Quantum chemical investigations
Keywords: انرژی بازسازی; Organic field effect transistors; Frontier molecular orbitals; Ionization potential; Electron affinity; Reorganization energy;
Variable temperature study of electro-reduction of 3-nitrophenolate via cyclic and square wave voltammetry: Molecular insights into electron transfer processes based on the asymmetric Marcus-Hush model
Keywords: انرژی بازسازی; Asymmetric Marcus-Hush model; Variable temperature experiments; Reorganization energy; Adiabaticity;
Modeling of multifunctional donor-bridge-acceptor 4,6-di(thiophen-2-yl)pyrimidine derivatives: A first principles study
Keywords: انرژی بازسازی; Density functional theory; Time dependent density functional theory; Electronic properties; Reorganization energy; Charge transfer;
On the adiabaticity of electrode processes: Effect of the supporting electrolyte cation on the kinetics of electroreduction of 3-nitrophenolate
Keywords: انرژی بازسازی; Adiabaticity; Supporting electrolyte cation; Asymmetric Marcus–Hush model; Variable temperature voltammetry; Reorganization energy
Large face to face tetraphenylporphyrin/fullerene nanoaggregates. A DFT study
Keywords: انرژی بازسازی; Porphyrin; Fullerene; DFT; Dispersion correction; Reorganization energy
Inner- and outer-sphere metal coordination in blue copper proteins
Keywords: انرژی بازسازی; Blue copper; Electron transfer; Reorganization energy
Molecular insights into electron transfer processes via variable temperature cyclic voltammetry. Application of the asymmetric Marcus-Hush model
Keywords: انرژی بازسازی; Asymmetric Marcus-Hush model; Temperature variable experiments; Reorganization energy; Adiabaticity; Fast scan cyclic voltammetry;
Anharmonic Franck-Condon simulation of the absorption and fluorescence spectra for the low-lying S1 and S2 excited states of pyrimidine
Keywords: انرژی بازسازی; Harmonic and anharmonic simulation; Franck-Condon factors; Reorganization energy; Absorption and fluorescence spectra; Vibronic spectra;
Theoretical study on the electronic structures and photophysical properties of a series of dithienylbenzothiazole derivatives
Keywords: انرژی بازسازی; Electron injection/transporting; Reorganization energy; Density Functional Theory (DFT); Dithienylbenzothiazole; Red-light-emitting material;
Electronic, optical and charge transfer properties of α,αâ²-bis(dithieno[3,2-b:2â²,3â²- d]thiophene) (BDT) and its heteroatom-substituted analogues
Keywords: انرژی بازسازی; OTFTs; Absorption; Ionization potential; Electron affinity; Reorganization energy;
A study on the electronic and charge transfer properties in tin phthalocyanine (SnPc) derivatives by density functional theory
Keywords: انرژی بازسازی; Optical materials; HOMO; LUMO; Optical properties; Reorganization energy;
The effect of diphenylamine on the electronic, optical, and charge transport properties of BTD-based derivative: Insights from theory
Keywords: انرژی بازسازی; Diphenylamine; 2,1,3-Benzothiadiazole; Electronic and optical properties; Reorganization energy
Theoretical study on the influence of ancillary ligand on the energy and optical properties of heteroleptic phosphorescent Ir(III) complexes
Keywords: انرژی بازسازی; DFT; Excited states; OLED; Reorganization energy;
Reorganization energy of supramolecular donor–acceptor dyad of octaethylporphyrin isomers and axial-coordinated acceptor: Experimental and computational study
Keywords: انرژی بازسازی; Electron transfer; Reorganization energy; Porphyrin; Porphycene; Hemiporphycene; Marcus theory
On the evaluation and analysis of the Marcus–Hush–Chidsey integral
Keywords: انرژی بازسازی; Marcus–Hush; Butler–Volmer; Electrode kinetics; Rate constant; Overvoltage; Reorganization energy
Revealing bipolar charge-transport property of 4,4′-N,N′-dicarbazolylbiphenyl (CBP) by quantum chemical calculations
Keywords: انرژی بازسازی; Organic LED; Marcus theory; Charge transfer integral; Reorganization energy; Quantum chemical calculation
Theoretical investigation on the white-light emission from a single-polymer system with simultaneous blue and orange emission (Part II)
Keywords: انرژی بازسازی; WPLEDs; Electronic and optical properties; Reorganization energy; Stability
Kinetic comparison between ferric ion and decamethyferrocene at the liquid/liquid interface as studied by scanning electrochemical microscopy
Keywords: انرژی بازسازی; SECM; Electron transfer (ET); Liquid/liquid interface (L/L); Reorganization energy
Impact of substitution on the reorganization energy of bis-triarylamine derivatives
Keywords: انرژی بازسازی; DFT; Substitution; TPD; Reorganization energy;
Density functional theory study on photophysical properties of the porphyrins derivatives with through-bond energy transfer characters
Keywords: انرژی بازسازی; Through-bond energy transfer; Ionization potentials; Electron affinity; Reorganization energy; Exciton binding energy