Boyu Shao

Bio: Boyu Shao is an academic researcher from Tianjin University. The author has contributed to research in topics: Photocatalysis & Vacancy defect. The author has an hindex of 3, co-authored 5 publications receiving 30 citations.

Effect of S vacancy in Cu3SnS4 on high selectivity and activity of photocatalytic CO2 reduction

Abstract: Cu3SnS4 with S vacancy and different ratios of Cu(I/II) and Sn(II/IV) was designed for photocatalytic CO2 reduction with high selectivity and activity in this study. The conduction band (CB) position dominated by the Sn(II) 5p orbital of Cu3SnS4 could be regulated via controlling the content of Sn(II). Cu(I) and Sn(IV) in crystal lattice acted as the adsorption sites of CO2 and H2O as demonstrated by Density Functional Theory (DFT) calculations, meanwhile Cu(I) had a strong adsorption ability to CO, which was conducive to further protonation for CH4 generation (CO2→COOH*→CO*→CHO*→CH2O*→CH3O*→CH4). S vacancy could result in the appearance of Cu(I) and Sn(II), which could successfully inhibit the electron-hole recombination and improve the reactivity (CH4 with yield of 22.65 μmol/g/h) and selectivity (CH4 ∼ 83.10 %). This work can shed some light on the synthetic method by controlling vacancy and elements to adjust CB position to increase reduction capability and selectivity.

Visible light driven hydrogen evolution using external and confined CdS: Effect of chitosan on carriers separation

Abstract: Both fast recombination of photogenerated electron-hole pairs and quick photocorrosion limit CdS’s application in hydrogen production. To address this dilemma, herein, we designed and synthesized a millimetre-sized chitosan-CdS xerogel bead photocatalyst (CXB@CdS) to expound the mechanisms of photocorrosion resistant and enhanced photocatalytic H2 production. NH2 and OH groups of chitosan contribute to the spatial separation of photogenerated electron-hole pairs lead to inhibition of CXB@CdS photocorrosion, which guaranteed stable HER performance for 55 h. Directional migration of photogenerated holes from valence band (VB) of CXB@CdS to the highest occupied molecular orbital (HOMO) of chitosan was demonstrated due to the existence of lone pair electrons on NH2 and OH groups. This work can shed some light on the mechanism of natural polymers with rich functional groups modifying metal sulfides for effective photocorrosion inhibition and highly enhanced photocatalytic activities.

Fumaric Acid Assistant Band Structure Tunable Nitrogen Defective g-C3N4 Fabrication for Enhanced Photocatalytic Hydrogen Evolution

Abstract: Tuning the structural defects of graphite carbon nitride (g-C3N4) is an effective strategy to modify its band structure and promote charge separation, but it is still limited by complex and harsh p...

Emerging Strategies for CO2 Photoreduction to CH4: From Experimental to Data‐Driven Design

Abstract: The solar‐energy‐driven photoreduction of CO2 has recently emerged as a promising approach to directly transform CO2 into valuable energy sources under mild conditions. As a clean‐burning fuel and drop‐in replacement for natural gas, CH4 is an ideal product of CO2 photoreduction, but the development of highly active and selective semiconductor‐based photocatalysts for this important transformation remains challenging. Hence, significant efforts have been made in the search for active, selective, stable, and sustainable photocatalysts. In this review, recent applications of cutting‐edge experimental and computational materials design strategies toward the discovery of novel catalysts for CO2 photocatalytic conversion to CH4 are systematically summarized. First, insights into effective experimental catalyst engineering strategies, including heterojunctions, defect engineering, cocatalysts, surface modification, facet engineering, and single atoms, are presented. Then, data‐driven photocatalyst design spanning density functional theory (DFT) simulations, high‐throughput computational screening, and machine learning (ML) is presented through a step‐by‐step introduction. The combination of DFT, ML, and experiments is emphasized as a powerful solution for accelerating the discovery of novel catalysts for photocatalytic reduction of CO2. Last, challenges and perspectives concerning the interplay between experiments and data‐driven rational design strategies for the industrialization of large‐scale CO2 photoreduction technologies are described.

Ternary heterojunction in rGO-coated Ag/Cu2O catalysts for boosting selective photocatalytic CO2 reduction into CH4

Abstract: Herein, the ternary catalyst of reduced graphene oxide (rGO)-coated Ag/Cu2O-octahedron nanocrystals (Ag/Cu2[email protected]) was successfully fabricated by method of water bath combining with gas-bubbling-assisted membrane reduction. Supported Ag nanoparticles with low fermi energy can enrich the photogenerated electrons originated from visible light-driven Cu2O octahedral nanocrystals. The surface extended π bond of coated rGO nanolayers on Ag/Cu2O can further capture photoelectrons and improve adsorption-activation capacities for reactants. Agn/Cu2[email protected] catalysts with ternary rGO-Ag-Cu2O heterojunction exhibit excellent performance during selective photocatalytic CO2 reduction with H2O into CH4. Ag4/Cu2[email protected] catalyst has the highest formation rate (82.6 μmol g−1 h−1) and selectivity (95.4%) of CH4 product. Combined with the results of in-situ DRIFT spectra and density functional theory calculations, the photocatalytic mechanism is proposed: the protonation of CO* intermediate is key step for selective photocatalytic CO2 reduction into CH4. It provides one novel strategy to development of high-efficient photocatalyst for selective CO2 conversion into C1 chemicals.