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Journal ArticleDOI

Enhanced Superoxide Generation on Defective Surfaces for Selective Photooxidation

TLDR
Benefiting from the enhanced charge separation and transfer processes, the In2S3 nanosheets with S vacancies could simultaneously activate O2 into superoxide radicals via electron transfer under visible-light irradiation to display outstanding activity for the selective oxidation of alcohols to aldehydes with high conversion and selectivity.
Abstract
Photocatalytic selective oxidation reactions hold great promise for the design of high-value-added organic intermediates, but many of these reactions suffer from low conversion efficiency and selectivity due to uncontrollable oxidation processes. In view of using photogenerated reactive oxygen species as the key oxidant in a selective oxidation reaction, we propose that a highly selective oxidation reaction can be achieved by modulating the corresponding photocatalytic molecular oxygen (O2) activation processes. Using cubic indium sulfide (β-In2S3) nanosheets as a model system, we show that the charge carriers involved in O2 activation can be optimized with the introduction of surface S vacancies. Benefiting from the enhanced charge separation and transfer processes, the In2S3 nanosheets with S vacancies could simultaneously activate O2 into superoxide radicals via electron transfer under visible-light irradiation to display outstanding activity for the selective oxidation of alcohols to aldehydes with hi...

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Cooperative Coupling of Oxidative Organic Synthesis and Hydrogen Production over Semiconductor-Based Photocatalysts.

TL;DR: In this paper, the fundamental principles of cooperative photoredox coupling of selective organic synthesis and H2 production by simultaneous utilization of photoexcited electrons and holes over semiconductor-based catalysts to meet the economic and sustainability goal are discussed.
Journal ArticleDOI

Selective Organic Transformations over Cadmium Sulfide-Based Photocatalysts

TL;DR: In this paper, the development of efficient catalyst for photoredox-catalyzed selective organic synthesis has always been remaining the attractive objective in recent years and is the most relevant research topic.
Journal ArticleDOI

Strategies and Challenges on Selectivity of Photocatalytic Oxidation of Organic Substances

TL;DR: In this article, a review of the fundamental understanding of the reactive oxygen species involved in photocatalytic organic oxidations and furthermore, the general mechanisms of a few crucial oxidation reactions is presented.
Journal ArticleDOI

Selective Activation of Benzyl Alcohol Coupled with Photoelectrochemical Water Oxidation via a Radical Relay Strategy

TL;DR: In this article, the authors proposed to use selective oxidation to produce target chemicals, which usually need activation of O2 at high temperature and/or pressure, which has largely restricted its practical operation and application.
References
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Journal ArticleDOI

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
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Projector augmented-wave method

TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
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Self-Consistent Equations Including Exchange and Correlation Effects

TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.
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Powering the planet: Chemical challenges in solar energy utilization

TL;DR: Solar energy is by far the largest exploitable resource, providing more energy in 1 hour to the earth than all of the energy consumed by humans in an entire year, and if solar energy is to be a major primary energy source, it must be stored and dispatched on demand to the end user.
Journal ArticleDOI

Recent Advances in Ultrathin Two-Dimensional Nanomaterials

TL;DR: The unique advances on ultrathin 2D nanomaterials are introduced, followed by the description of their composition and crystal structures, and the assortments of their synthetic methods are summarized.
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