fig3

Multiscale insights into the interaction and reaction of water at solid surfaces from theoretical simulations

Figure 3. (A) Adsorption and activation of water molecules on surfaces; (B) In situ DRIFTS showing the dynamic evolution of TiO2 samples under a formaldehyde flow for 60 min; (C) Distinct reaction pathways for DOM conversion to formate: H transfer from DOM to a surface lattice oxygen species (left) versus H transfer to a surface terminal hydroxyl group (right). (B and C) Ref.[36] Copyright © 2020 American Chemical Society; (D) Overall water-splitting activity of Ni-C3N4Ts under visible-light irradiation; (E) Overall water-splitting activity of Ni-C3N4Ts-2 under a standard solar simulator. (D and E) Ref.[37] Copyright © 2022 American Chemical Society; (F) Schematic illustration of hydrogen production activity and durability based on monometallic Pt/CNT and bimetallic PtxPd1-x/CNT catalysts. Ref.[38] Copyright © 2020 American Chemical Society. DRIFTS: Diffuse reflectance infrared Fourier transform spectroscopy; DOM: dioxymethylene; CNT: carbon nanotube.