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The global demand for clean energy is increasing. Hydrogen evolution from photocatalytic water splitting is a great solution to this challenge. This chapter focuses on theoretical studies of hydrogen evolution from photocatalytic water splitting. Band structure engineering and carrier separation of three-dimensional (3D) and two-dimensional (2D) photocatalyst materials are discussed. This chapter provides theoretical insights into the design of effective photocatalysts for hydrogen evolution from water splitting. © 2023 WILEY-VCH GmbH.
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Year： 2023
Page： 171-186
Language： English
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