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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
Results on the electrochromic and photocatalytic properties of vanadium doped tungsten oxide thin films prepared by reactive dc magnetron sputtering technique
Three‐dimensional knotting of W 17 O 47 @ PEDOT : PSS nanowires enables high‐performance flexible cathode for dual‐functional electrochromic and electrochemical device
Using the Isalos platform to develop a (Q)SAR model that predicts metal oxide toxicity utilizing facet-based electronic, image analysis-based, and periodic table derived properties as descriptors
Fast identification, and construction of adsorbate-adsorbent geometries for high throughput computational applications: The Automatic Surface Adsorbate Structure Provider (ASAP) algorithm
Unravelling the interplay of dopant concentration and band structure engineering of monoclinic niobium pentoxide: A model photoanode for water splitting
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
From Hexagonal to Monoclinic: Engineering Crystalline Phase to Boost the Intrinsic Catalytic Activity of Tungsten Oxides for the Hydrogen Evolution Reaction
Conversion of methanol on rutile TiO 2 (110) and tungsten oxide clusters: 2. The role of defects and electron transfer in bifunctional oxidic photocatalysts
Advances in Computational Methods for Modeling Photocatalytic Reactions: A Review of Recent Developments
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