Toward Optimal Photocatalytic Hydrogen Generation from Water Using Pyrene-Based Metal-Organic Frameworks

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Impressive Imidacloprid (IMD) degradation and bacterial inactivation were attained through the photocatalytic activation of peroxymonosulfate (PMS) via a novel, N-doped MgO@Fe3O4, under visible light. After complete characterization (XPS, XRD, FT-IR, FE-SE ...

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Accurate computational predictions of band gaps are of practical importance to the modeling and development of semiconductor technologies, such as (opto)electronic devices and photoelectrochemical cells. Among available electronic-structure methods, densit ...

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Toward Optimal Photocatalytic Hydrogen Generation from Water Using Pyrene-Based Metal-Organic Frameworks

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Efficient Cu2O Photocathodes for Aqueous Photoelectrochemical CO2 Reduction to Formate and Syngas

Design and development of a low-cost imidazole-based hole transporting material for perovskite solar cells

Superior visible light-mediated catalytic activity of a novel N-doped, Fe3O4-incorporating MgO nanosheet in presence of PMS: Imidacloprid degradation and implications on simultaneous bacterial inactivation

Zn-dominated interphase inhibits the anodic parasitic reactions for Al-air batteries using Zn2+@Agar hydrogel membrane

Radical Alkynylations with EthynylBenziodoXolones: From Photocatalysis to Direct Excitation

Realistic Modelling of Dynamics at Nanostructured Interfaces Relevant to Heterogeneous Catalysis

Spectroscopy and dynamics at liquid water interfaces

Visible light activated BINOL-derived chiroptical switches based on boron integrated hydrazone complexes

Electronic-structure methods for materials design

Insight into the interaction of magnetic photocatalysts with the incoming light accelerating bacterial inactivation and environmental cleaning

Extensive Benchmarking of DFT+U Calculations for Predicting Band Gaps

Universal Structural Influence on the 2D Electron Gas at SrTiO3 Surfaces

Stable Palladium Oxide Clusters Encapsulated in Silicalite-1 for Complete Methane Oxidation

Fe-57-Enrichment effect on the composition and performance of Fe-based O-2-reduction electrocatalysts

Dynamics and healing behavior of metallosupramolecular polymers

Tapered Cross-Section Photoelectron Spectroscopy of State-of-the-Art Mixed Ion Perovskite Solar Cells: Band Bending Profile in the Dark, Photopotential Profile Under Open Circuit Illumination, and Band Diagram