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Bismuth vanadate (BiVO4) has emerged as a highly prospective material for photoanodes in photoelectrochemical (PEC) water oxidation. However, current limitations with this material lie in the difficulties in producing stable and continuous…

Photoelectrochemical water splitting is a promising route to produce hydrogen from solar energy. However, corrosion of semiconducting photoelectrodes remains a fundamental challenge for their practical application. The stability of BiVO4,…

Monoclinic bismuth vanadate (BiVO$_4$) is a promising $n$-type semiconductor for applications in sunlight-driven water splitting. Several studies have shown that its photocatalytic activity is greatly enhanced by high concentrations of Mo…

Materials Science · Physics 2020-12-08 Enesio Marinho , Cedric Rocha Leão

BiVO$_4$ is a promising photocatalyst for efficient water oxidation, with surface reactivity determined by the structure of active catalytic sites. Surface oxidation in the presence of oxygen vacancies induces electron localization,…

Monoclinic scheelite bismuth vanadate (BiVO4) is a promising photoanode for water splitting yet the PEC performance is limited due to its relatively higher (2.4 eV) band gap. Here, we successfully decreased its the band gap to 1.72 eV by…

Applied Physics · Physics 2019-11-28 Tilak Poudel , Yanfa Yan , Xunming Deng

An Ag-doped CuO-AgCl-g-C3N4 heterostructure has been designed to achieve rapid Methylene Blue (MB) degradation through a synergistic photo-Fenton mechanism driven by low-power UV illumination. The composite integrates narrow-bandgap CuO,…

This study investigates the structural, electronic, and catalytic properties of pristine and doped C$_4$N$_2$ nanosheets as potential electrocatalysts for the hydrogen evolution reaction. The pristine C$_{36}$N$_{18}$ nanosheets exhibit…

TiO$_2$ and SrTiO$_3$ are well known materials in the field of photocatalysis due to their exceptional electronic structure, high chemical stability, non-toxicity and low cost. However, owing to the wide band gap, these can be utilized only…

Materials Science · Physics 2020-09-25 Manish Kumar , Pooja Basera , Shikha Saini , Saswata Bhattacharya

The photocatalytic production of hydrogen peroxide (H$_2$O$_2$) from water is a promising strategy for solar-to-chemical energy conversion. Herein, we investigate the effect of metal-free heteroatom doping (B, O, P, and S) on the…

The rare-earth (RE) elements [Holmium (Ho) and Ytterbium (Yb)] doped vanadium pentoxide (V2O5) with a series of doping concentrations (1 mol.%, 3 mol.%, and 5 mol.%) have been successfully synthesized using environment-friendly facile…

Light element based two dimensional (2D) materials are promising photocatalysts for hydrogen production via water splitting. Boron oxide (BO) is a recently synthesized 2D monolayer which has yet to be thoroughly explored for its potential…

In this paper, the photocatalytic activity of multiferroics BiFeO3 (BFO) and Bi0.8La0.2FeO3 (BLFO) nanocrystals with two different morphologies which were synthesized by two different sol-gel (SG) and hydrothermal (HT) methods have been…

Materials Science · Physics 2018-07-10 Hamed Maleki

The potential application of the single-layer MoS2 as photocatalyst was revealed in this work based on first-principles calculations. It is found that the pristine single-layer MoS2 is a good candidate for photocatalyst, and its catalyzing…

Materials Science · Physics 2013-05-15 Yunguo Li , Yan-ling Li , Carlos Moyses Araujo , Wei Luo , Rajeev Ahuja

Effective regulation of the morphology of transition metal spinel structures is crucial for creating efficient and stable bifunctional catalysts for electrocatalysis of water. In this work, micro-flower NiCo2O4 (F-NCO) assembled by…

Chemical Physics · Physics 2024-03-27 Yujie Wang , Yan Duan , Yuwen Chen , Man Zhang , Yuchen Wang , Bin Liu , Xiaodie Zhang , Yutong Zhang , Kai Yan

Herein, NiO nanosheets supported with Ag single atoms are synthesized for photothermal CO2 hydrogenation to achieve 1065 mmol g$^{-1}$ h$^{-1}$ of CO production rate under 1 sun irradiation, revealing the unparalleled weak sunlight driven…

Lead poisoning and notorious ambient instability in lead-based halide perovskites pave the way for the exploration of alternative materials for affordable and efficient solar cell fabrication. An important prerequisite to this end is the…

The enhanced photocatalytic performance of doped graphene(GR)/semiconductor nanocomposites have recently been widely observed, but an understanding of the underlying mechanisms behind it is still out of reach. As a model system to study the…

Computational Physics · Physics 2015-10-29 Chao-Ni He , Wei-Qing Huang , Liang Xu , Yin-Cai Yang , Bing-Xin Zhou , Gui-Fang Huang , P. Peng , Wu-Ming Liu

Substitutional doping with transition metals is carried out in the Lepidocrocite phase - the stable monolayer geometry of TiO$_2$, using density functional theory (DFT) methods. The doping is carried out at the differently coordinated O…

Materials Science · Physics 2024-10-14 Kati Asikainen , Matti Alatalo , Marko Huttula , S. Assa Aravindh

Advanced theoretical investigations are crucial for understanding the structural growth mechanisms, optoelectronic properties, and photocatalytic activity of photoelectrodes for efficient photoelectrochemical water splitting. In this work,…

Materials Science · Physics 2025-03-24 Abdul Ahad Mamun , Muhammad Anisuzzaman Talukder

Bismuth vanadate (BiVO$_4$) is a key photocatalyst for solar fuel applications, yet fundamental questions remain regarding the nature of photogenerated polaronic states and the lattice dynamics that govern its light-to-chemical pathways.…

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