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Tungsten Oxide in Catalysis and Photocatalysis: Hints from DFT

https://doi.org/10.1007/s11244-013-0147-6
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Observation of d‐Orbital Aromaticity
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Formation of Monodisperse (WO3)3 Clusters on TiO2(110)
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Rational Band Gap Engineering of WO3 Photocatalyst for Visible light Water Splitting
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Reaction and Deactivation Pathways in Xylene Isomerization on Zirconia Modified by Tungsten Oxide
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Synthesis and characterization of chemically grown electrochromic tungsten oxide
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Semiconducting properties of anodic WO3 amorphous films
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Reduction behavior and metathesis activity of catalystsIII. The activation of catalysts
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Structure refinement of triclinic tungsten trioxide
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Fast electron energy loss spectrum of an amorphous tungsten trioxide film
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Interband transitions of semiconducting oxides determined from photoelectrolysis spectra
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Hydrogen on WO3(001)
inferredcites →https://doi.org/10.1016/0039-6028(96)00302-0openalex-snapshot
An STM study of surface structures on WO3(001)
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Defect states on the surface of WO3
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Evaporation of tungsten oxides: A mass-spectrometric study of the vapour contents
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Reactivity of V2O5-WO3/TiO2 catalysts in the selective catalytic reduction of nitric oxide by ammonia
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Gas-phase hydration of ethene over tungstena–zirconia
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Effect of transition metal doping on photocatalytic activity of WO3 for water splitting under laser illumination: role of 3d-orbitals
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Preparation and characterization of monodispersed WO3 nanoclusters on TiO2(110)
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Trends in non-metal doping of anatase TiO2: B, C, N and F
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Tungsten-based oxide semiconductors for solar hydrogen generation
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Formation of tetragonal hydrogen tungsten bronze by reactive mechanical alloying
inferredcites →https://doi.org/10.1016/j.solmat.2007.01.026openalex-snapshot
Opportunities and challenges in science and technology of WO3 for electrochromic and related applications
inferredcites →https://doi.org/10.1016/j.susc.2005.01.048openalex-snapshot
Oxygen-induced p(3 × 1) reconstruction of the W(1 0 0) surface
inferredcites →https://doi.org/10.1016/j.susc.2005.02.007openalex-snapshot
Scanning tunneling microscopy study of terminal oxygen structures on WO3(100) thin films
inferredcites →https://doi.org/10.1016/j.susc.2007.01.013openalex-snapshot
Driving force for the WO3(001) surface relaxation
inferredcites →https://doi.org/10.1016/j.tsf.2003.10.002openalex-snapshot
Surface phase transitions upon reduction of epitaxial WO3(100) thin films
inferredcites →https://doi.org/10.1016/j.tsf.2009.01.126openalex-snapshot
Response kinetics of a fiber-optic gas sensor using Pt/WO3 thin film to hydrogen
inferredcites →https://doi.org/10.1016/s0009-2614(01)00616-9openalex-snapshot
On the prediction of band gaps from hybrid functional theory
inferredcites →https://doi.org/10.1016/s0039-6028(03)00986-5openalex-snapshot
The p(4×2) surface reconstruction on epitaxial WO3 thin films
inferredcites →https://doi.org/10.1016/s0039-6028(96)00900-4openalex-snapshot
Observation of reduced (1 × 1) terraces on WO3(001) surfaces using scanning tunnelling microscopy
inferredcites →https://doi.org/10.1016/s0039-6028(97)00818-2openalex-snapshot
Electronic states at oxygen deficient WO3(001) surfaces: a study by resonant photoemission
inferredcites →https://doi.org/10.1016/s0167-2738(01)00806-2openalex-snapshot
The observation of cubic tungsten trioxide at high-temperature dehydration of tungstic acid hydrate
inferredcites →https://doi.org/10.1016/s0167-2738(99)00101-0openalex-snapshot
Raman study of the phase transitions sequence in pure WO3 at high temperature and in HxWO3 with variable hydrogen content
inferredcites →https://doi.org/10.1016/s0169-4332(99)00335-9openalex-snapshot
Characterization of pulsed laser deposited WO3 thin films for electrochromic devices
inferredcites →https://doi.org/10.1016/s0920-5861(02)00301-2openalex-snapshot
Nb2O5-supported WO3: a comparative study with WO3/Al2O3
inferredcites →https://doi.org/10.1016/s0927-0248(02)00267-2openalex-snapshot
Optical properties of chemical vapor deposited thin films of molybdenum and tungsten based metal oxides
inferredcites →https://doi.org/10.1016/s0927-0248(98)00196-2openalex-snapshot
Colouration of tungsten oxide films: A model for optically active coatings
inferredcites →https://doi.org/10.1016/s0927-0248(99)00088-4openalex-snapshot
Electrochromic tungsten oxide films: Review of progress 1993–1998
inferredcites →https://doi.org/10.1016/s1010-6030(99)00026-xopenalex-snapshot
The effect of selected reaction parameters on the photoproduction of oxygen and hydrogen from a WO3–Fe2+–Fe3+ aqueous suspension
inferredcites →https://doi.org/10.1021/cm3032225openalex-snapshot
Tungsten Oxide Clathrates for Water Oxidation: A First Principles Study
inferredcites →https://doi.org/10.1021/ja304661gopenalex-snapshot
Radical versus Nucleophilic Mechanism of Formaldehyde Polymerization Catalyzed by (WO3)3 Clusters on Reduced or Stoichiometric TiO2(110)
inferredcites →https://doi.org/10.1021/ja3067622openalex-snapshot
Thermally Stable N2-Intercalated WO3 Photoanodes for Water Oxidation
inferredcites →https://doi.org/10.1021/ja800730gopenalex-snapshot
Catalytic Dehydration of 2-Propanol on (WO3)3 Clusters on TiO2(110)
inferredcites →https://doi.org/10.1021/ja961514uopenalex-snapshot
An ab Initio Hartree−Fock Study of the Cubic and Tetragonal Phases of Bulk Tungsten Trioxide
inferredcites →https://doi.org/10.1021/jp045655ropenalex-snapshot
The Oxygen Vacancy in Crystal Phases of WO 3
inferredcites →https://doi.org/10.1021/jp047383yopenalex-snapshot
Reactivity of 1-Propanol on p(n × 2) Reconstructed WO3(100) Thin Films
inferredcites →https://doi.org/10.1021/jp055325mopenalex-snapshot
On the Structure and Chemical Bonding of Tri-Tungsten Oxide Clusters W3On- and W3On (n = 7−10): W3O8 As A Potential Molecular Model for O-Deficient Defect Sites in Tungsten Oxides
inferredcites →https://doi.org/10.1021/jp060735bopenalex-snapshot
Molecular and Electronic Structures, Brönsted Basicities, and Lewis Acidities of Group VIB Transition Metal Oxide Clusters
inferredcites →https://doi.org/10.1021/jp070911wopenalex-snapshot
New Non-Oxide Photocatalysts Designed for Overall Water Splitting under Visible Light
inferredcites →https://doi.org/10.1021/jp074187topenalex-snapshot
Low-Lying Electronic States of M3O9- and M3O92- (M = Mo, W)
inferredcites →https://doi.org/10.1021/jp104644eopenalex-snapshot
MoxW1−xO3·0.33H2O Solid Solutions with Tunable Band Gaps
inferredcites →https://doi.org/10.1021/jp109498bopenalex-snapshot
Matrix Isolation Spectroscopic and Theoretical Study of Dihydrogen Activation by Group V Metal Dioxide Molecules
inferredcites →https://doi.org/10.1021/jp201057mopenalex-snapshot
Electronic and Structural Properties of WO 3 : A Systematic Hybrid DFT Study
inferredcites →https://doi.org/10.1021/jp300867jopenalex-snapshot
Doping of WO3 for Photocatalytic Water Splitting: Hints from Density Functional Theory
inferredcites →https://doi.org/10.1021/jp302210yopenalex-snapshot
DFT Study of Hydrogen Adsorption On the Monoclinic WO 3 (001) Surface
inferredcites →https://doi.org/10.1021/jp810182aopenalex-snapshot
Accurate Thermochemistry for Transition Metal Oxide Clusters
inferredcites →https://doi.org/10.1021/jp8109463openalex-snapshot
Competitive Oxidation and Reduction of Aliphatic Alcohols over (WO3)3 Clusters
inferredcites →https://doi.org/10.1021/jp906194topenalex-snapshot
Structural and Electronic Properties of a W3O9Cluster Supported on the TiO2(110) Surface
inferredcites →https://doi.org/10.1021/jp963724zopenalex-snapshot
Transition Metal Oxide Chemistry: Electronic Structure Study of WO3, ReO3, and NaWO3
inferredcites →https://doi.org/10.1023/a:1015322625989openalex-snapshot
Mg-Doped WO3 as a Novel Photocatalyst for Visible Light-Induced Water Splitting
inferredcites →https://doi.org/10.1038/260312a0openalex-snapshot
Tungsten trioxide as a photoanode for a photoelectrochemical cell (PEC)
inferredcites →https://doi.org/10.1038/260313a0openalex-snapshot
Effect of surface roughness on rolling friction and adhesion between elastic solids
inferredcites →https://doi.org/10.1039/b800489gopenalex-snapshot
Heterogeneous photocatalyst materials for water splitting
inferredcites →https://doi.org/10.1039/b807629dopenalex-snapshot
Enhanced long-wavelength transient photoresponsiveness of WO3 induced by tellurium doping
inferredcites →https://doi.org/10.1063/1.123268openalex-snapshot
Electrochromic mechanism in a-WO3−y thin films
inferredcites →https://doi.org/10.1063/1.124782openalex-snapshot
Electrochromic coloration efficiency of a-WO3−y thin films as a function of oxygen deficiency
inferredcites →https://doi.org/10.1063/1.1564060openalex-snapshot
Hybrid functionals based on a screened Coulomb potential
inferredcites →https://doi.org/10.1063/1.1702176openalex-snapshot
The Structure of Tetragonal Tungsten Trioxide
inferredcites →https://doi.org/10.1063/1.1743722openalex-snapshot
Polymeric Gaseous Species in the Sublimation of Tungsten Trioxide
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Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
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Influence of the exchange screening parameter on the performance of screened hybrid functionals
inferredcites →https://doi.org/10.1063/1.3088845openalex-snapshot
First principles study of the photo-oxidation of water on tungsten trioxide (WO3)
inferredcites →https://doi.org/10.1063/1.3313945openalex-snapshot
Optical band-gap determination of nanostructured WO3 film
inferredcites →https://doi.org/10.1063/1.3491271openalex-snapshot
Transition levels of defect centers in ZnO by hybrid functionals and localized basis set approach
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1080/00150197608241431openalex-snapshot
Structural phase transitions in the system WO3-NaWO3
inferredcites →https://doi.org/10.1080/01411599208222899openalex-snapshot
Structural phase transitions in crystals. I. Database
inferredcites →https://doi.org/10.1080/14786437308227562openalex-snapshot
Optical and photoelectric properties and colour centres in thin films of tungsten oxide
inferredcites →https://doi.org/10.1088/0022-3727/41/3/035302openalex-snapshot
Results on the electrochromic and photocatalytic properties of vanadium doped tungsten oxide thin films prepared by reactive dc magnetron sputtering technique
inferredcites →https://doi.org/10.1088/0953-8984/18/31/028openalex-snapshot
Density-functional study of oxygen vacancies in monoclinic tungsten oxide
inferredcites →https://doi.org/10.1088/0953-8984/9/31/010openalex-snapshot
Crystal structure and paramagnetic behaviour of
inferredcites →https://doi.org/10.1088/0957-4484/18/20/205701openalex-snapshot
Gasochromic effect and relative mechanism of WO3nanowire films
inferredcites →https://doi.org/10.1088/0957-4484/21/10/105704openalex-snapshot
Nitrogen doping of nanoporous WO3layers by NH3treatment for increased visible light photoresponse
inferredcites →https://doi.org/10.1088/0957-4484/22/26/265603openalex-snapshot
Solvothermal synthesis of Ce-doped tungsten oxide nanostructures as visible-light-driven photocatalysts
inferredcites →https://doi.org/10.1103/physrev.84.1255openalex-snapshot
Low Temperature Polymorphic Transformation in W O3
inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
inferredcites →https://doi.org/10.1103/physrevb.52.r14392openalex-snapshot
Superstructures and defect structures revealed by atomic-scale STM imaging of WO3 (001)
inferredcites →https://doi.org/10.1103/physrevb.54.2436openalex-snapshot
Electronic structure and optical properties of WO 3 , LiWO 3 , NaWO 3 , and HWO 3
inferredcites →https://doi.org/10.1103/physrevb.59.2684openalex-snapshot
Anomalous behavior of the semiconducting gap in WO 3 from first-principles calculations
inferredcites →https://doi.org/10.1103/physrevb.62.176openalex-snapshot
P4W20O68: A complex charge-density-wave modulated structure with an antiferroelectric-like lattice distortion
inferredcites →https://doi.org/10.1103/physrevb.68.233204openalex-snapshot
Resonant defect states and strong lattice relaxation of oxygen vacancies in WO3
inferredcites →https://doi.org/10.1103/physrevb.72.075109openalex-snapshot
Density-functional studies of tungsten trioxide, tungsten bronzes, and related systems
inferredcites →https://doi.org/10.1103/physrevb.77.195102openalex-snapshot
Density-functional theory study of the effects of atomic impurity on the band edges of monoclinic WO 3
inferredcites →https://doi.org/10.1103/physrevb.80.115118openalex-snapshot
Exchange-induced negative- U charge order in N-doped WO3 : A spin-Peierls-like system
inferredcites →https://doi.org/10.1103/physrevb.84.073103openalex-snapshot
Semiconductor-to-metal transition in WO 3−x : Nature of the oxygen vacancy
inferredcites →https://doi.org/10.1103/physrevlett.37.1564openalex-snapshot
Charge Transfer in Amorphous Colored W O3 Films Observed by X-Ray Photoelectron Spectroscopy
inferredcites →https://doi.org/10.1107/s0365110x66002469openalex-snapshot
Neutron diffraction investigation of WO3
inferredcites →https://doi.org/10.1107/s0567740869004146openalex-snapshot
Further refinement of the structure of WO3
inferredcites →https://doi.org/10.1107/s0567740878005014openalex-snapshot
The crystal structure of triclinic WO 3
inferredcites →https://doi.org/10.1149/1.2404265openalex-snapshot
The Anodic Oxidation of Hydrogen on Platinized Tungsten Oxides
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A Novel Electrophotographic System
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CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Electron Transfer in Oxide–Oxide Cocatalysts: Interaction of Tungsten Oxide Clusters with Ti3+ States in Rutile TiO2
inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c10696openalex-snapshot
Interaction of Na with 2D WO3 and MoO3 Layers on Pd(100): From Doping to 2D Bronze Formation
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b10504openalex-snapshot
Nanoscale Domain Structure and Defects in a 2-D WO3 Layer on Pd(100)
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b01446openalex-snapshot
Distinguishing Bulk Conduction from Band Bending Transduction Mechanisms in Chemiresistive Metal Oxide Gas Sensors
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b07990openalex-snapshot
Ultrathin WO3 Bilayer on Ag(100): A Model for the Structure of 2D WO3 Nanosheets
inferred← citeshttps://doi.org/10.1021/acsami.0c11300openalex-snapshot
Predicting the Energetics of Hydrogen Intercalation in Metal Oxides Using Acid–Base Properties
inferred← citeshttps://doi.org/10.1021/acsami.5b11078openalex-snapshot
Characterization of Tungsten Oxide Thin Films Produced by Spark Ablation for NO2 Gas Sensing
inferred← citeshttps://doi.org/10.1021/acscatal.5b01522openalex-snapshot
Oxygen-Deficient Tungsten Oxide as Versatile and Efficient Hydrogenation Catalyst
inferred← citeshttps://doi.org/10.1021/acscatal.5c01633openalex-snapshot
Thermochemical and Kinetic Correlations of Redox and Lewis Sites on Cobalt–Molybdenum Oxides: Illustrated with Alkanol-O2 Catalysis
inferred← citeshttps://doi.org/10.1021/acscatal.6b00869openalex-snapshot
A Periodic DFT Study of Glucose to Fructose Isomerization on Tungstite (WO 3 ·H 2 O): Influence of Group IV–VI Dopants and Cooperativity with Hydroxyl Groups
inferred← citeshttps://doi.org/10.1021/acsnano.1c10054openalex-snapshot
High-Efficiency WSe 2 Photovoltaic Devices with Electron-Selective Contacts
inferred← citeshttps://doi.org/10.1021/acssuschemeng.1c00485openalex-snapshot
From Hexagonal to Monoclinic: Engineering Crystalline Phase to Boost the Intrinsic Catalytic Activity of Tungsten Oxides for the Hydrogen Evolution Reaction
inferred← citeshttps://doi.org/10.1021/jacs.5c02242openalex-snapshot
Limitations in Determining Oxidation States in Condensed Matter at the Subnanometric Scale
inferred← citeshttps://doi.org/10.1021/jp5015324openalex-snapshot
Photoinduced Silver Precursor Decomposition for Particle Modification in Tungsten Oxide–Polymer Matrix Nanocomposites
inferred← citeshttps://doi.org/10.1039/c6ce01557copenalex-snapshot
In situ growth of WO 3−x nanowires on g-C 3 N 4 nanosheets: 1D/2D heterostructures with enhanced photocatalytic activity
inferred← citeshttps://doi.org/10.1039/c6en00478dopenalex-snapshot
WO 3 -based photocatalysts: morphology control, activity enhancement and multifunctional applications
inferred← citeshttps://doi.org/10.1039/c6ra08769hopenalex-snapshot
From liquid to thin film: colloidal suspensions for tungsten oxide as an electrode material for Li-ion batteries
inferred← citeshttps://doi.org/10.1039/c7ta03887aopenalex-snapshot
Enhanced photopromoted electron transfer over a bilayer WO 3 n–n heterojunction prepared by RF diode sputtering
inferred← citeshttps://doi.org/10.1039/d0nj04622aopenalex-snapshot
Solid solution ZnW 1−x Mo x O 4 for enhanced photocatalytic H 2 evolution
inferred← citeshttps://doi.org/10.1039/d1cp01175hopenalex-snapshot
Conversion of methanol on rutile TiO 2 (110) and tungsten oxide clusters: 1. population of defect-dependent thermal reaction pathways
inferred← citeshttps://doi.org/10.1039/d1cp01176fopenalex-snapshot
Conversion of methanol on rutile TiO 2 (110) and tungsten oxide clusters: 2. The role of defects and electron transfer in bifunctional oxidic photocatalysts
inferred← citeshttps://doi.org/10.1039/d3ra01031gopenalex-snapshot
Study on the photocatalytic properties differences between the 1-D and 3-D W 18 O 49 particles
inferred← citeshttps://doi.org/10.1039/d5ta07711gopenalex-snapshot
Tungsten oxide electron transport layer enables unprecedented operational stability in MAPbI 3 p–i–n perovskite solar cells
inferred← citeshttps://doi.org/10.1063/1.4931805openalex-snapshot
Defect calculations in semiconductors through a dielectric-dependent hybrid DFT functional: The case of oxygen vacancies in metal oxides
inferred← citeshttps://doi.org/10.1063/1.4944193openalex-snapshot
Photocatalytic properties of h-WO3 nanoparticles obtained by annealing and h-WO3 nanorods prepared by hydrothermal method
inferred← citeshttps://doi.org/10.1063/1.4972038openalex-snapshot
Effect of oxygen vacancies on the electronic and optical properties of tungsten oxide from first principles calculations
inferred← citeshttps://doi.org/10.1063/5.0229132openalex-snapshot
Exploring the electronic structure and lithium diffusion kinetics of amorphous tungsten oxide
inferred← citeshttps://doi.org/10.1080/02726351.2017.1302536openalex-snapshot
The effect of humic acid on the stability and aggregation kinetics of WO 3 nanoparticles
inferred← citeshttps://doi.org/10.1080/09593330.2019.1629635openalex-snapshot
Photocatalytic reduction of Cr(VI) using Mg-doped WO3 nanoparticles
inferred← citeshttps://doi.org/10.1088/1361-6463/ac21fcopenalex-snapshot
Recent advancements in strategies to improve performance of tungsten-based semiconductors for photocatalytic hydrogen production: a review
inferred← citeshttps://doi.org/10.1142/s0217979224500310openalex-snapshot
First principles calculations on the structures, electronic and magnetic properties of the TMn@W12O36 (TM=Mn, Fe, Co and Ni, n = 1–4) clusters
inferred← citeshttps://doi.org/10.1142/s0217979224504381openalex-snapshot
Structures, stabilities and electronic properties of carbon monoxide adsorbed and embedded boron nitride nanotubes with different lengths
inferred← citeshttps://doi.org/10.1142/s0217984916503401openalex-snapshot
Mechanism of enhanced photocatalytic activities on tungsten trioxide doped with sulfur: Dopant-type effects
inferred← citeshttps://doi.org/10.1142/s0218625x24500392openalex-snapshot
STRUCTURES, ELECTRONIC PROPERTIES AND DIPOLE MAGNITUDES OF TMWn−1O3n AND TM2Wn−2O3n (TM = Ni, Pd AND Pt; n=2−6) CLUSTERS
inferred← citeshttps://doi.org/10.1155/2019/5384132openalex-snapshot
Highly Crystalline WO3 Nanoparticles Are Nontoxic to Stem Cells and Cancer Cells
inferred← citeshttps://doi.org/10.1246/cl.130792openalex-snapshot
Preparation of Nanoribbons of Blue Potassium Molybdenum Bronze
inferred← citeshttps://doi.org/10.13189/cme.2016.040202openalex-snapshot
The Role of Acid Sites in the Catalytic Performance of Tungsten Oxide during the Dehydration of Isopropyl and Methyl Alcohols
inferred← citeshttps://doi.org/10.2139/ssrn.4877668openalex-snapshot
Construction of Cofe2o4/Fe2o3 S-Type Heterojunctions for Activating Peroxymonosulfate Towards Simultaneous Removal of Tetracycline and Cr(Vi)
inferred← citeshttps://doi.org/10.3390/ma17092119openalex-snapshot
Advances in Computational Methods for Modeling Photocatalytic Reactions: A Review of Recent Developments
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.