TM and P dual sites on polymeric carbon nitride enable highly selective CO reduction to C2 products with low potentials: A theoretical perspective DOI

Shuang Ji,

Wei Lin

The Journal of Chemical Physics, Journal Year: 2024, Volume and Issue: 161(17)

Published: Nov. 1, 2024

The CO reduction reaction (CORR) for the production of high-value-added multi-carbon (C2+) products is currently being actively investigated, where searching high-efficiency catalysts with moderate intermediate binding strength and low kinetic barrier C–C coupling poses a significant challenge. In this study, we employed density functional theory computations to design four synergistic dual sites CORR C2 products, namely, TM-P@melon, by co-doping transition metals (TM = Mn, Fe, Co, Ni) phosphorus (P) into polymeric carbon nitride (i.e., melon-CN). Mn–P@melon Ni–P@melon exhibit higher selectivity toward C2H5OH C2H6, respectively, limiting potentials (C–C energy barriers) −0.43 V (0.52 eV) −0.17 (0.26 eV), respectively. introduction TM P atoms not only narrows band gap melon-CN but also favors *CHO, providing an active site coupling, thus facilitating catalytic reaction. Our work provides rational insights stable, low-cost, efficient that facilitate sustainable high-value chemicals fuels.

Language: Английский

Metal–organic frameworks for organic transformations by photocatalysis and photothermal catalysis DOI
Hong‐Guang Jin, Pengcheng Zhao, Yunyang Qian

et al.

Chemical Society Reviews, Journal Year: 2024, Volume and Issue: 53(18), P. 9378 - 9418

Published: Jan. 1, 2024

Organic transformation by light-driven catalysis, especially, photocatalysis and photothermal denoted as photo(thermal) is an efficient, green, economical route to produce value-added compounds. In recent years, owing their diverse structure types, tunable pore sizes, abundant active sites, metal-organic framework (MOF)-based catalysis has attracted broad interest in organic transformations. this review, we provide a comprehensive systematic overview of MOF-based for First, the general mechanisms, unique advantages, strategies improve performance MOFs are discussed. Then, outstanding examples transformations over introduced according reaction type. addition, several representative advanced characterization techniques used revealing charge kinetics intermediates presented. Finally, prospects challenges field proposed. This review aims inspire rational design development materials with improved catalysis.

Language: Английский

Citations

59

Regulating the Oxygen Vacancy on Bi2MoO6/Co3O4 Core‐Shell Nanocage Enables Highly Selective CO2 Photoreduction to CH4 DOI Open Access
Jingshan Fan, Liang Shi, Haonan Ge

et al.

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Aug. 6, 2024

Abstract Photocatalytic CO 2 reduction reaction (CO RR) into high‐value‐added fuels has received significant attention, yet multiple electron and proton processes involved in RR result low selectivity. Herein, a strategy involving oxygen vacancies (Ovs)‐enriched Bi MoO 6 coated on ZIF‐67‐derived Co 3 O 4 to construct well‐defined core‐shell nanocage is developed, which drives effective photoconversion CH with nearly 100% selectivity high apparent quantum efficiency of 2.5% at 420 nm pure water under simulated irradiation. Theoretical calculations experiments exhibit that the potential difference stemming from built‐in electric field provides guarantee for occurring H oxidation set . Numerous exposed Ovs formed Bi─O bond by ethylene glycol mediated approach promotes adsorption charge separation efficiency, can optimize kinetics thermodynamics, facilitating hydrogenation key intermediate *CO generate This work new controlled vacancy generation photocatalysts achieve high‐performance methanation.

Language: Английский

Citations

17

Artificial intelligence interventions in 2D MXenes-based photocatalytic applications DOI
Durga Madhab Mahapatra, Ashish Kumar, Rajesh Kumar

et al.

Coordination Chemistry Reviews, Journal Year: 2025, Volume and Issue: 529, P. 216460 - 216460

Published: Jan. 24, 2025

Language: Английский

Citations

2

InVO4-Decorated Ti3C2 MXene for Efficient Photocatalytic Hydrogen Evolution DOI
Sanmilan Jyoti Kalita, Sagar Varangane,

Purashri Basyach

et al.

ACS Applied Materials & Interfaces, Journal Year: 2024, Volume and Issue: 16(31), P. 40825 - 40835

Published: July 25, 2024

The generation of hydrogen through photocatalysis is a fascinating technology for addressing environmental concerns and the energy crisis. Nevertheless, quest cost-effective, stable, efficient photocatalysts in realm conversion remains significant challenge. Herein, we designed novel InVO4/Ti3C2 MXene (IVTC) heterostructures by employing acid etching to produce Ti3C2 with an accordion-like morphology, using hydrothermal technique production orthorhombic InVO4 nanoparticles (NPs), integrating them self-assembly approach. Both field-emission scanning electron microscopy HRTEM analyses revealed consistent distribution NPs average size 43.4 nm on both surfaces between sheets MXene. intimate interface nanosheet suppressed carrier recombination promoted charge transfer, thereby boosting photocatalytic H2 production. Under visible light exposure, rate evolution enhanced IVTC containing optimized 10% loading InVO4, exhibiting over 3-fold increase compared pristine NPs, maintaining efficiency across four cycles. This research presents promising method designing creating high-efficiency possessing excellent visible-light-driven activity evolution.

Language: Английский

Citations

9

Releasing Au Electrons to Mo Site for Weakened MoH Bond of Mo2C MXene Cocatalyst Toward Improved Photocatalytic H2 Production DOI Open Access
Xiaochun Ke, Ping Wang, Xuefei Wang

et al.

Small, Journal Year: 2024, Volume and Issue: unknown

Published: Aug. 30, 2024

Mo

Language: Английский

Citations

8

Rapid Charge Transfer Endowed by Heteroatom Doped Z‐Scheme Van Der Waals Heterojunction for Boosting Photocatalytic Hydrogen Evolution DOI Open Access
Weinan Xing,

Weifan Shao,

Yingfu Li

et al.

Small, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 23, 2025

Abstract Constructing heterojunctions between phase interfaces represents a crucial strategy for achieving excellent photocatalytic performance, but the absence of sufficient interface driving force and limited charge transfer pathway leads to unsatisfactory separation processes. Herein, doping‐engineering is introduced construct In─N bond‐bridged In 2 S 3 nanocluster modified doped carbon nitride (CN) nanosheets Z‐Scheme van der Waals (VDW) (In /CNS) photocatalyst, preparation process just by one‐step pyrolysis using pre‐coordination confinement method. Specifically, atoms doping enhances bond strength forms high‐quality interfacial linkage which serves as atomic‐level “highway” improving electrons migration, decreasing recombination probability. The detailed characterization results, along with theoretical calculations, confirm that both atom incorporation formation VDW synergistically improve internal electric field. This, in turn, accelerates simultaneously light absorption capacity. Consequently, optimal hydrogen evolution performance In₂S₃/CNS2 160.8 times greater than In₂S₃, 8.2 higher CNS. This study emphasizes role atomic‐scale regulation intrinsic fields heterojunctions, contributing ameliorative performance.

Language: Английский

Citations

1

Research progress on photocatalysts for CO2 conversion to liquid products DOI
Linlin Wu,

Liuqing Yang,

Wenxin Liu

et al.

Rare Metals, Journal Year: 2025, Volume and Issue: unknown

Published: March 13, 2025

Language: Английский

Citations

1

High-Intensity Interfacial Electric Fields between Co-catalysts and Semiconductor: A Determinant Factor in Enhancing Photocatalytic Hydrogen Production DOI

Guanyu Wu,

Xue Gao, Peipei Sun

et al.

Applied Catalysis B Environment and Energy, Journal Year: 2025, Volume and Issue: unknown, P. 125265 - 125265

Published: March 1, 2025

Language: Английский

Citations

1

Achieving Overall Carbon Utilization from Organic Wastewater to Recover Solar Syngas via an Artificial Carbon Cycling System DOI
Xi Wu,

Jiabi Li,

Ruiyu Zhong

et al.

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: 34(44)

Published: June 29, 2024

Abstract Building artificial carbon cycling systems for the direct conversion of wastewater into value‐added solar fuels using renewable energy can contribute to achieving neutrality. Herein, a bifunctional photocatalyst comprising three‐dimensionally ordered Ti 3 C 2 T x /TiO nanoflowers is exploited tandem achieve efficient organic treatment with simultaneous CO resourcing. The highest efficiency achieved by optimal treat simulated containing rhodamine B (RhB), an enhanced primary production rate 10.02 µmol g −1 h and RhB degradation 77.6% after 1 illumination in anoxic environment. CO/H ratio produced syngas be readily tuned from 0.95 1.86 adjusting content. Mechanistic studies based on DFT, situ DRIFTS, LC‐MS /IC reveal that coupled photocatalytic reduction processes collectively undertake *HCOO intermediate coverage. This phenomenon triggers sustainable *CO under mild conditions crosses key rate‐limiting step ‐to‐CO conversion, thereby overall utilization treatment. study offers in‐depth insights design mechanisms highly effective systems.

Language: Английский

Citations

6

Synergistic magnetic field effect to enhance photocatalytic effect for pharmaceutics degradation by Ti3C2 MXene/GQDs@ZnO DOI
David Nugroho, Young Jun Joo,

Kwang Youn Cho

et al.

Journal of Photochemistry and Photobiology A Chemistry, Journal Year: 2024, Volume and Issue: unknown, P. 116224 - 116224

Published: Dec. 1, 2024

Language: Английский

Citations

5