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Self-energy and excitonic effects in the electronic and optical properties of TiO2 crystalline phases
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Dependence of the photocatalytic reduction of bicarbonate to formic acid by Au–TiO2 on Au morphology and its plasmonic vibrational mode
inferred← citeshttps://doi.org/10.1016/j.mssp.2016.12.036openalex-snapshot
Tunable TiO2 films for high-performing transparent Schottky photodetector
inferred← citeshttps://doi.org/10.1016/j.mtener.2020.100571openalex-snapshot
Absorption mechanism of dopamine/DOPAC-modified TiO2 nanoparticles by time-dependent density functional theory calculations
inferred← citeshttps://doi.org/10.1016/j.nanoen.2016.08.003openalex-snapshot
Photoexcited carriers recombination and trapping in spherical vs faceted TiO2 nanoparticles
inferred← citeshttps://doi.org/10.1016/j.optmat.2018.11.045openalex-snapshot
N2+ ion bombardment effect on the band gap of anatase TiO2 ultrathin films
inferred← citeshttps://doi.org/10.1016/j.optmat.2022.112919openalex-snapshot
Correlation between optical and structural properties of nitrogen doped anatase TiO2 thin films
inferred← citeshttps://doi.org/10.1016/j.optmat.2024.115633openalex-snapshot
Adsorption and electron injection studies in N719 sensitized Ag−, Au− implanted and O2 annealed titania films
inferred← citeshttps://doi.org/10.1016/j.optmat.2024.115920openalex-snapshot
Dispersion of titania TiO2-II high-pressure phase based on ellipsometric measurements
inferred← citeshttps://doi.org/10.1016/j.optmat.2024.116363openalex-snapshot
Investigating the influence of RF power on the surface morphological and optical properties of sputtered TiO2 thin films
inferred← citeshttps://doi.org/10.1016/j.physb.2022.413856openalex-snapshot
Multiple low-energy excitons and optical response of d0 double perovskite Ba 2 ScTaO 6
inferred← citeshttps://doi.org/10.1016/j.physb.2025.417666openalex-snapshot
Electronic structure fingerprints of visible range excitons in d0 double perovskite oxides
inferred← citeshttps://doi.org/10.1016/j.physe.2013.10.014openalex-snapshot
Oxygen defect dependent variation of band gap, Urbach energy and luminescence property of anatase, anatase–rutile mixed phase and of rutile phases of TiO2 nanoparticles
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2014.06.012openalex-snapshot
Electronic structure calculations of mercury mobilization from mineral phases and photocatalytic removal from water and the atmosphere
inferred← citeshttps://doi.org/10.1016/j.solmat.2017.06.001openalex-snapshot
Enhanced photocatalytic performance of anatase TiO 2 substitutionally co-doped with La and N
inferred← citeshttps://doi.org/10.1016/j.surfcoat.2016.04.048openalex-snapshot
Deposition of multifunctional TiO2 and ZnO top-protective coatings for CSP application
inferred← citeshttps://doi.org/10.1016/j.surfin.2016.09.006openalex-snapshot
Growth of micro flower rutile TiO2 films by chemical bath deposition technique: Study on the properties of structural, surface morphological, vibrational, optical and compositional
inferred← citeshttps://doi.org/10.1016/j.susc.2013.09.010openalex-snapshot
Theoretical study of the Fluorine doped anatase surfaces
inferred← citeshttps://doi.org/10.1021/acs.chemmater.6b02261openalex-snapshot
Investigation of the Optical and Excitonic Properties of the Visible Light-Driven Photocatalytic BiVO4 Material
inferred← citeshttps://doi.org/10.1021/acs.chemmater.8b02792openalex-snapshot
Spontaneous Direct Band Gap, High Hole Mobility, and Huge Exciton Energy in Atomic-Thin TiO2Nanosheet
inferred← citeshttps://doi.org/10.1021/acs.jctc.7b00538openalex-snapshot
Benchmarking the Fundamental Electronic Properties of small TiO2 Nanoclusters by GW and Coupled Cluster Theory Calculations
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00545openalex-snapshot
Band Gap of 3D Metal Oxides and Quasi-2D Materials from Hybrid Density Functional Theory: Are Dielectric-Dependent Functionals Superior?
inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c08416openalex-snapshot
Importance of Surfaces and Many-Body Absorption Spectra for C-Doped TiO2 Photocatalysts
inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c09594openalex-snapshot
Density Functional Theory Estimate of Halide Perovskite Band Gap: When Spin Orbit Coupling Helps
inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c07374openalex-snapshot
Anisotropic Valence Band Structure of Anatase TiO2(101) Studied by Polarization-Dependent Angle-Resolved Photoelectron Spectroscopy
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b00023openalex-snapshot
Rutile Band-Gap States Induced by Doping with Manganese in Various Oxidation States
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b03587openalex-snapshot
Nature of Nitrogen-Doped Anatase TiO 2 and the Origin of Its Visible-Light Activity
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b04821openalex-snapshot
Resolving the Controversy about the Band Alignment between Rutile and Anatase: The Role of OH–/H+ Adsorption
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b01687openalex-snapshot
Kinetic Monte Carlo Simulations of Defects in Anatase Titanium Dioxide
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b04517openalex-snapshot
Resonant Two-Photon Photoemission from Ti 3d Defect States of TiO2(110) Revisited
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b12370openalex-snapshot
Theoretical Investigation of Ta2O5, TaON, and Ta3N5: Electronic Band Structures and Absolute Band Edges
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b02540openalex-snapshot
Visible Emission in Nanocrystalline Rutile: Free Exciton and Water as Probes for Midgap States in Adsorption/Desorption Using “Conventional” and Synchronous Luminescence Spectroscopy
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b00256openalex-snapshot
Study of the Bulk Charge Carrier Dynamics in Anatase and Rutile TiO 2 Single Crystals by Femtosecond Time-Resolved Spectroscopy
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b01574openalex-snapshot
Experimental and Theoretical Evidence of Enhanced Visible Light Photoelectrochemical and Photocatalytic Properties in MoS2/TiO2 Nanohole Arrays
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b02777openalex-snapshot
Structure and Reactivity of Anatase TiO2(001)-(1 × 4) Surface
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b05648openalex-snapshot
Behavior of Photogenerated Electron–Hole Pair for Water Splitting on TiO2(110)
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b09784openalex-snapshot
Visualizing Elementary Reactions of Methanol by Electrons and Holes on TiO2(110) Surface
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b10352openalex-snapshot
Different Dissociation Rates of Singlet and Triplet Excitons of Pentacene at the Interface in Solar Cells
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b07403openalex-snapshot
Two-Dimensional COF with Rather Low Exciton Binding Energies Comparable to 3D Inorganic Semiconductors in the Visible Range for Water Splitting
inferred← citeshttps://doi.org/10.1021/acs.jpclett.3c02578openalex-snapshot
Boosting Photocatalytic Water Splitting of Polymeric C 60 by Reduced Dimensionality from Two-Dimensional Monolayer to One-Dimensional Chain
inferred← citeshttps://doi.org/10.1021/acs.jpclett.9b02153openalex-snapshot
State-Selective Dynamics of TiO 2 Charge-Carrier Trapping and Recombination
inferred← citeshttps://doi.org/10.1021/acs.langmuir.7b00683openalex-snapshot
Determining the Conduction Band-Edge Potential of Solar-Cell-Relevant Nb2O5 Fabricated by Atomic Layer Deposition
inferred← citeshttps://doi.org/10.1021/acs.nanolett.0c02125openalex-snapshot
Unveiling Oxygen Vacancy Superstructures in Reduced Anatase Thin Films
inferred← citeshttps://doi.org/10.1021/acsaem.9b00084openalex-snapshot
Synergy of Neodymium and Copper for Fast and Reversible Visible-light Promoted Photochromism, and Photocatalysis, in Cu/Nd-TiO 2 Nanoparticles
inferred← citeshttps://doi.org/10.1021/acscatal.2c03795openalex-snapshot
Interfacial Charge-Transfer Excitons Help the Photoreduction of CO2 on TiO2
inferred← citeshttps://doi.org/10.1021/acscatal.5b00529openalex-snapshot
Comparing Quasiparticle H2O Level Alignment on Anatase and Rutile TiO2
inferred← citeshttps://doi.org/10.1021/acsomega.2c01425openalex-snapshot
Flexible Nano-TiO2 Sheets Exhibiting Excellent Photocatalytic and Photovoltaic Properties by Controlled Silane Functionalization─Exploring the New Prospects of Wastewater Treatment and Flexible DSSCs
inferred← citeshttps://doi.org/10.1021/acsomega.3c02865openalex-snapshot
First-Principles Band Alignments at the Si:Anatase TiO 2 Interface
inferred← citeshttps://doi.org/10.1021/acsomega.8b03254openalex-snapshot
Influence of Spin State and Cation Distribution on Stability and Electronic Properties of Ternary Transition-Metal Oxides
inferred← citeshttps://doi.org/10.1021/acsphotonics.7b00945openalex-snapshot
Clocking the Ultrafast Electron Cooling in Anatase Titanium Dioxide Nanoparticles
inferred← citeshttps://doi.org/10.1021/bk-2013-1140.ch008openalex-snapshot
Electronic Properties of Silver Doped TiO 2 Anatase (100) Surface
inferred← citeshttps://doi.org/10.1021/bk-2015-1196.ch002openalex-snapshot
Electronic and Optical Properties of Low-Dimensional TiO2: From Minority Surfaces to Nanocomposites
inferred← citeshttps://doi.org/10.1021/bk-2019-1331.ch002openalex-snapshot
Electronic Structure and Excited State Dynamics of TiO2Nanowires
inferred← citeshttps://doi.org/10.1021/cr1001595openalex-snapshot
Ultrafast Interfacial Proton-Coupled Electron Transfer
inferred← citeshttps://doi.org/10.1021/cr500055qopenalex-snapshot
Theoretical Studies on Anatase and Less Common TiO2Phases: Bulk, Surfaces, and Nanomaterials
inferred← citeshttps://doi.org/10.1021/ct4010273openalex-snapshot
Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description
inferred← citeshttps://doi.org/10.1021/ct500087vopenalex-snapshot
Quasiparticle Level Alignment for Photocatalytic Interfaces
inferred← citeshttps://doi.org/10.1021/jacs.2c08054openalex-snapshot
Monolayer Fullerene Networks as Photocatalysts for Overall Water Splitting
inferred← citeshttps://doi.org/10.1021/jacs.4c13167openalex-snapshot
Smallest [5,6]Fullerene as Building Blocks for 2D Networks with Superior Stability and Enhanced Photocatalytic Performance
inferred← citeshttps://doi.org/10.1021/jacs.7b06322openalex-snapshot
Interfacial Electron Injection Probed by a Substrate-Specific Excitonic Signature
inferred← citeshttps://doi.org/10.1021/jp1056286openalex-snapshot
Composition Dependence of Microstructure, Phonon Modes, and Optical Properties in Rutile TiO2:Fe Nanocrystalline Films Prepared by a Nonhydrolytic Sol−Gel Route
inferred← citeshttps://doi.org/10.1021/jp1115492openalex-snapshot
Band Lineup and Charge Carrier Separation in Mixed Rutile-Anatase Systems
inferred← citeshttps://doi.org/10.1021/jp203654mopenalex-snapshot
A Finite Cluster Approach to an Extended Transition Metal Oxide: A Wave Function Based Study
inferred← citeshttps://doi.org/10.1021/jp2047294openalex-snapshot
Electronic Band Structures of ATaO3(A = Li, Na, and K) from First-Principles Many-Body Perturbation Theory
inferred← citeshttps://doi.org/10.1021/jp2053103openalex-snapshot
Infrared Spectroscopic Studies of Conduction Band and Trapped Electrons in UV-Photoexcited, H-Atom n-Doped, and Thermally Reduced TiO2
inferred← citeshttps://doi.org/10.1021/jp207054fopenalex-snapshot
Does Bridging Geometry Influence Interfacial Electron Transfer Dynamics? Case of the Enediol-TiO2 System
inferred← citeshttps://doi.org/10.1021/jp304618nopenalex-snapshot
The Nature of Radiative Transitions in TiO2-Based Nanosheets
inferred← citeshttps://doi.org/10.1021/jp3106937openalex-snapshot
Enhanced Optical Absorption Due to Symmetry Breaking in TiO2(1–x)S2x Alloys
inferred← citeshttps://doi.org/10.1021/jp311076wopenalex-snapshot
Photoinduced Charge Transfer from Titania to Surface Doping Site
inferred← citeshttps://doi.org/10.1021/jp407275eopenalex-snapshot
Electronic Structure of Interfaces between Thiophene and TiO2 Nanostructures
inferred← citeshttps://doi.org/10.1021/jp412462mopenalex-snapshot
The Stability, Electronic Structure, and Optical Property of TiO2 Polymorphs
inferred← citeshttps://doi.org/10.1021/jz2009874openalex-snapshot
Bulk and Surface Polarons in Photoexcited Anatase TiO2
inferred← citeshttps://doi.org/10.1021/jz402165bopenalex-snapshot
Energy Band Alignment between Anatase and Rutile TiO 2
inferred← citeshttps://doi.org/10.1021/jz5008356openalex-snapshot
Size Effects in the Interface Level Alignment of Dye-Sensitized TiO2 Clusters
inferred← citeshttps://doi.org/10.1038/s41467-017-00016-6openalex-snapshot
Strongly bound excitons in anatase TiO2 single crystals and nanoparticles
inferred← citeshttps://doi.org/10.1038/s41566-017-0049-4openalex-snapshot
Plasmonic coupling at a metal/semiconductor interface
inferred← citeshttps://doi.org/10.1038/s41578-020-0198-9openalex-snapshot
Theoretical insights into the surface physics and chemistry of redox-active oxides
inferred← citeshttps://doi.org/10.1038/s41598-020-72195-0openalex-snapshot
Theoretical insights of codoping to modulate electronic structure of $$\hbox {TiO}_2$$ and $$\hbox {SrTiO}_3$$ for enhanced photocatalytic efficiency
inferred← citeshttps://doi.org/10.1038/s41598-024-84316-0openalex-snapshot
Density functional theory study of Chlorine, Fluorine, Nitrogen, and Sulfur doped rutile TiO2 for photocatalytic application
inferred← citeshttps://doi.org/10.1039/c1cp22871dopenalex-snapshot
Periodic calculations of excited state properties for solids using a semiempirical approach
inferred← citeshttps://doi.org/10.1039/c1jm11809aopenalex-snapshot
Novel photocatalyst of V-based solid solutions for overall water splitting
inferred← citeshttps://doi.org/10.1039/c3cp52324aopenalex-snapshot
Spectroscopic properties of electrochemically populated electronic states in nanostructured TiO2 films: anatase versus rutile
inferred← citeshttps://doi.org/10.1039/c3cs00007aopenalex-snapshot
Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory
inferred← citeshttps://doi.org/10.1039/c4cp05395hopenalex-snapshot
N,F-monodoping and N/F-codoping effects on the electronic structures and optical performances of Zn 2 GeO 4
inferred← citeshttps://doi.org/10.1039/c6cs00914jopenalex-snapshot
IR spectroscopic investigations of chemical and photochemical reactions on metal oxides: bridging the materials gap
inferred← citeshttps://doi.org/10.1039/c6tc02368aopenalex-snapshot
Far- and deep-ultraviolet spectroscopic investigations for titanium dioxide: electronic absorption, Rayleigh scattering, and Raman spectroscopy
inferred← citeshttps://doi.org/10.1039/c7nr02458dopenalex-snapshot
Structures of defects on anatase TiO 2 (001) surfaces
inferred← citeshttps://doi.org/10.1039/c9tc05002gopenalex-snapshot
Self energy and excitonic effect in (un)doped TiO 2 anatase: a comparative study of hybrid DFT, GW and BSE to explore optical properties
inferred← citeshttps://doi.org/10.1039/d0cp00652aopenalex-snapshot
Optimum in the thermoelectric efficiency of nanostructured Nb-doped TiO 2 ceramics: from polarons to Nb–Nb dimers
inferred← citeshttps://doi.org/10.1039/d0ta05637eopenalex-snapshot
Critical role of the defect state in the photo-oxidation of methanol on TiO 2 (110)
inferred← citeshttps://doi.org/10.1039/d3cp04753aopenalex-snapshot
Non-resonant inelastic X-ray scattering for discrimination of pigments
inferred← citeshttps://doi.org/10.1039/d3na00347gopenalex-snapshot
Tunable electronic structures, Rashba splitting, and optical and photocatalytic responses of MSSe-PtO 2 (M = Mo, W) van der Waals heterostructures
inferred← citeshttps://doi.org/10.1039/d5cc02473kopenalex-snapshot
Monolayer C 60 networks: a first-principles perspective
inferred← citeshttps://doi.org/10.1039/d6ta01678bopenalex-snapshot
Incorporating unique B–N motifs into graphene for efficient photocatalytic CO 2 reduction
inferred← citeshttps://doi.org/10.1051/epjconf/20134104021openalex-snapshot
Interband excitation and carrier relaxation as displacive driving force for coherent phonons
inferred← citeshttps://doi.org/10.1063/1.3507898openalex-snapshot
Experimental characterization of the electronic structure of anatase TiO2: Thermopower modulation
inferred← citeshttps://doi.org/10.1063/1.3618677openalex-snapshot
Calculations show improved photoelectrochemical performance for N, Ce, and Ce + N doped anatase TiO2
inferred← citeshttps://doi.org/10.1063/1.3645544openalex-snapshot
Communication: Strong excitonic and vibronic effects determine the optical properties of Li2O2
inferred← citeshttps://doi.org/10.1063/1.3657147openalex-snapshot
Size effect on the conduction band orbital character of anatase TiO2 nanocrystals
inferred← citeshttps://doi.org/10.1063/1.3668085openalex-snapshot
Structure, electronic, and optical properties of TiO2 atomic clusters: An ab initio study
inferred← citeshttps://doi.org/10.1063/1.3676261openalex-snapshot
A theoretical investigation on photocatalytic oxidation on the TiO2 surface
inferred← citeshttps://doi.org/10.1063/1.3686727openalex-snapshot
Ab initio many-body study of the electronic and optical properties of MgAl2O4 spinel
inferred← citeshttps://doi.org/10.1063/1.4793273openalex-snapshot
Comparative study of rutile and anatase SnO2 and TiO2: Band-edge structures, dielectric functions, and polaron effects
inferred← citeshttps://doi.org/10.1063/1.4798706openalex-snapshot
Band gaps from the Tran-Blaha modified Becke-Johnson approach: A systematic investigation
inferred← citeshttps://doi.org/10.1063/1.4808475openalex-snapshot
Doping and compensation in Nb-doped anatase and rutile TiO2
inferred← citeshttps://doi.org/10.1063/1.4809994openalex-snapshot
Energy-level alignment in organic dye-sensitized TiO2 from GW calculations
inferred← citeshttps://doi.org/10.1063/1.4890492openalex-snapshot
Universal tight binding model for chemical reactions in solution and at surfaces. III. Stoichiometric and reduced surfaces of titania and the adsorption of water
inferred← citeshttps://doi.org/10.1063/1.4964690openalex-snapshot
Quasiparticle band structure and optical properties of hexagonal-YMnO3
inferred← citeshttps://doi.org/10.1063/1.4978793openalex-snapshot
Electronic structures of rutile (011)(2 × 1) surfaces: A many-body perturbation theory study
inferred← citeshttps://doi.org/10.1063/1.4994165openalex-snapshot
Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT
inferred← citeshttps://doi.org/10.1063/1.5043144openalex-snapshot
Temperature dependent photoluminescence of anatase and rutile TiO2 single crystals: Polaron and self-trapped exciton formation
inferred← citeshttps://doi.org/10.1063/1.5050090openalex-snapshot
Electronic and optical properties of pristine, N- and S-doped water-covered TiO2 nanotube surfaces
inferred← citeshttps://doi.org/10.1063/1.5089697openalex-snapshot
Ti-fraction-induced electronic and magnetic transformations in titanium oxide films
inferred← citeshttps://doi.org/10.1063/1.5108595openalex-snapshot
Ti-Ti σ bond at oxygen vacancy inducing the deep defect level in anatase TiO2 (101) surface
inferred← citeshttps://doi.org/10.1063/1674-0068/30/cjcp1711217openalex-snapshot
Quasiparticle Band Structures of Defects in Anatase TiO2 Bulk
inferred← citeshttps://doi.org/10.1063/5.0014106openalex-snapshot
Density fitting in periodic systems: Application to TDHF in diamond and oxides
inferred← citeshttps://doi.org/10.1063/5.0017111openalex-snapshot
Accurate determination of quasi-particle electronic and optical spectra of anatase titanium dioxide
inferred← citeshttps://doi.org/10.1063/5.0022362openalex-snapshot
Linear and nonlinear optical properties of RbTiOPO4–KTiOPO4 alloys studied from first principles
inferred← citeshttps://doi.org/10.1063/5.0082748openalex-snapshot
Electronic relaxation of photoexcited open and closed shell adsorbates on semiconductors: Ag and Ag2 on TiO2
inferred← citeshttps://doi.org/10.1063/5.0087031openalex-snapshot
General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides
inferred← citeshttps://doi.org/10.1063/5.0187144openalex-snapshot
An MSM photodetector based on an InGaO/TiO2 heterojunction for high-performance UV detection
inferred← citeshttps://doi.org/10.1063/5.0292326openalex-snapshot
Carrier-assisted recombination in anatase TiO2
inferred← citeshttps://doi.org/10.1073/pnas.2307671120openalex-snapshot
Ultrafast many-body bright–dark exciton transition in anatase TiO 2
inferred← citeshttps://doi.org/10.1073/pnas.2414203121openalex-snapshot
Identification of large polarons and exciton polarons in rutile and anatase polymorphs of titanium dioxide
inferred← citeshttps://doi.org/10.1080/00268976.2013.836609openalex-snapshot
Electron dynamics in charged wet TiO2anatase (001) surface functionalised by ruthenium ions
inferred← citeshttps://doi.org/10.1080/00268976.2013.854932openalex-snapshot
Electronic structure and hot carrier relaxation in ⟨001⟩ anatase TiO2nanowire
inferred← citeshttps://doi.org/10.1080/00268976.2015.1094582openalex-snapshot
Cobalt-doped TiO2: a computational analysis of dopant placement and charge transfer direction on thin film anatase
inferred← citeshttps://doi.org/10.1080/14328917.2023.2240165openalex-snapshot
Influence of nitrogen-doped carbon quantum dots on titanium dioxide for photovoltaic applications: optical and structural insight
inferred← citeshttps://doi.org/10.1088/0022-3727/47/41/413001openalex-snapshot
Structural, electronic, vibrational and dielectric properties of selected high-shape K semiconductor oxides
inferred← citeshttps://doi.org/10.1088/0031-8949/88/05/055302openalex-snapshot
The quasi-particle electronic structure of charged oxygen vacancies in TiO2
inferred← citeshttps://doi.org/10.1088/0953-8984/24/19/195503openalex-snapshot
The electronic structure and optical response of rutile, anatase and brookite TiO2
inferred← citeshttps://doi.org/10.1088/0953-8984/24/20/202201openalex-snapshot
GW quasiparticle bandgaps of anatase TiO 2 starting from DFT + U
inferred← citeshttps://doi.org/10.1088/0953-8984/26/44/445006openalex-snapshot
Reflectance anisotropy of the anatase Tio2(0 0 1)-(4 × 1) surface
inferred← citeshttps://doi.org/10.1088/0953-8984/26/47/475501openalex-snapshot
Insights and challenges of applying theGWmethod to transition metal oxides
inferred← citeshttps://doi.org/10.1088/0953-8984/27/28/283203openalex-snapshot
Semiconducting transition metal oxides
inferred← citeshttps://doi.org/10.1088/0965-0393/22/7/075004openalex-snapshot
High-temperature emissivity of silica, zirconia and samaria from ab initio simulations: role of defects and disorder
inferred← citeshttps://doi.org/10.1088/1361-6463/aa7540openalex-snapshot
Excess electrons at anatase TiO 2 surfaces and interfaces: insights from first principles simulations
inferred← citeshttps://doi.org/10.1088/1361-648x/ab15d0openalex-snapshot
Many-body perturbation theory calculations using the yambo code
inferred← citeshttps://doi.org/10.1088/1361-648x/ab99eaopenalex-snapshot
LCAO-TDDFT- k - ω : spectroscopy in the optical limit
inferred← citeshttps://doi.org/10.1088/1674-1056/21/5/057104openalex-snapshot
Electronic structures and optical properties of TiO 2 : Improved density-functional-theory investigation
inferred← citeshttps://doi.org/10.1088/1674-1056/23/8/084203openalex-snapshot
Electronic and optical properties of TiO 2 and its polymorphs by Z-scan method
inferred← citeshttps://doi.org/10.1088/1674-1056/25/6/067105openalex-snapshot
Compton profiles of NiO and TiO2obtained from first principles GWA spectral function
inferred← citeshttps://doi.org/10.1088/1674-1056/ad4bc3openalex-snapshot
Multi-objective global optimization approach predicted quasi-layered ternary TiOS crystals with promising photocatalytic properties
inferred← citeshttps://doi.org/10.1088/1742-6596/2499/1/012021openalex-snapshot
Comparison of Effect of Strong Magnetic Field on Microstructure and Photo Absorption Performance of CaTiO3 and TiO2
inferred← citeshttps://doi.org/10.1088/2053-1591/aa5e5eopenalex-snapshot
The conventional cell and the primitive cell electronic structure of anatase titanium dioxide crystal
inferred← citeshttps://doi.org/10.1088/2053-1591/ab6651openalex-snapshot
Tuning optical properties of TiO2 by dimension reduction: from 3D bulk to 2D sheets along {001} and {101} plane
inferred← citeshttps://doi.org/10.1088/2516-1075/ab47eaopenalex-snapshot
Effects of defects on the electronic and optical properties of TiO 2 nanosheet
inferred← citeshttps://doi.org/10.1088/2516-1075/ac8f03openalex-snapshot
Modified HSE06 functional applied to anatase TiO 2 : influence of exchange fraction on the quasiparticle electronic structure and optical response
inferred← citeshttps://doi.org/10.1103/physrevb.100.245207openalex-snapshot
X-ray absorption linear dichroism at the Ti K edge of anatase TiO2 single crystals
inferred← citeshttps://doi.org/10.1103/physrevb.102.045204openalex-snapshot
Time- and angle-resolved photoemission spectroscopy for the saddle-point excitons in GaAs
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