Covalent Bridges in Bi Loaded BiVO4 Enabling Rapid Charge Transfer for Efficient Photocatalytic Water Oxidation DOI Creative Commons

Liyang Li,

Zhiming Chen, Dong Fang

и другие.

Advanced Science, Год журнала: 2025, Номер unknown

Опубликована: Июнь 5, 2025

Abstract Bismuth vanadate (BiVO 4 ) is known as one of the most potential candidates in photocatalytic water oxidation for supplying oxygen extreme environment. However, its evolution hindered by rapid photogenerated charge carrier separation efficiency. Herein, plasmonic bismuth (Bi) nanoparticles loaded BiVO prepared oxidation. Specifically, are situ on via reduction partial , allowing formation Bi─O─V covalent bridges. Based femtosecond transient absorption spectroscopy and density functional theory calculations, such bridges can significantly facilitate migration plasmonic‐induced hot electrons from Bi to more participate surface reaction. As a result, optimized Bi/BiVO demonstrates record‐high rate 4567.94 µmol h −1 g . More importantly, obtained show plausible capability (oxygen production 381.47 under near‐infrared light irradiation, further collaborating be utilized conditions. This work design low‐cost highly‐efficient photocatalysts anticipated push forward development various application scenarios.

Язык: Английский

Nonadiabatic Molecular Dynamics with Subsystem Density Functional Theory: Application to Crystalline Pentacene DOI Creative Commons

Qingxin Zhang,

Xuecheng Shao, Wei Li

и другие.

Journal of Physics Condensed Matter, Год журнала: 2024, Номер 36(38), С. 385901 - 385901

Опубликована: Июнь 12, 2024

In this work, we report the development and assessment of nonadiabatic molecular dynamics approach with electronic structure calculations based on linearly scaling subsystem density functional method. The is implemented in an open-source embedded Quantum Espresso/Libra software specially designed for simulations extended systems. As proof applicability method to large condensed-matter systems, examine nonradiative relaxation excess excitation energy pentacene crystals simulation supercells containing more than 600 atoms. We find that increased structural disorder observed larger supercell models induces couplings states accelerates excited states. conduct a comparative analysis several quantum-classical trajectory surface hopping schemes, including two new methods proposed work (revised decoherence-induced instantaneous decoherence at frustrated hops). Most tested schemes suggest fast occurring timescales 0.7-2.0 ps range, but they significantly overestimate ground state recovery rates. Only modified simplified decay mixing yields notably slower 8-14 ps, inhibited recovery.

Язык: Английский

Процитировано

4

Z‐Scheme Heterojunction of Hierarchical Cu2S/CdIn2S4 Hollow Cubes to Boost Photoelectrochemical Performance DOI Open Access
Si Zhang, Jiahui Sun, Huangxian Ju

и другие.

Small, Год журнала: 2024, Номер 20(47)

Опубликована: Авг. 20, 2024

The exaltation of light-harvesting efficiency and the inhibition fast charge recombination are pivotal to improvement photoelectrochemical (PEC) performance. Herein, a direct Z-scheme heterojunction is designed Cu

Язык: Английский

Процитировано

3

The interface electric field accelerated charge transfer kinetics of 1D/0D TiO2/Bi2Sn2O7 Z-scheme heterojunction with close contact interface significantly improves photothermal catalytic N2 reduction DOI

Tianxu Zeng,

Hongbin He, Qisong Shi

и другие.

Separation and Purification Technology, Год журнала: 2024, Номер unknown, С. 129661 - 129661

Опубликована: Сен. 1, 2024

Язык: Английский

Процитировано

3

Pioneering sustainable energy solutions with rare-earth nanomaterials: Exploring pathways for energy conversion and storage DOI
Nurul Aida Mohamed, Tiong Sieh Kiong, Aznan Fazli Ismail

и другие.

International Journal of Hydrogen Energy, Год журнала: 2024, Номер 93, С. 607 - 649

Опубликована: Ноя. 5, 2024

Язык: Английский

Процитировано

3

Unveiling the Roles of Lattice Strain by Ni Exsolution on Photothermal Reduction of CO2 Activity in BaTiO3 Catalyst DOI Open Access
Qinghao Li, Qiankai Zhang, Chao Zeng

и другие.

Small, Год журнала: 2025, Номер unknown

Опубликована: Фев. 5, 2025

Abstract The lattice strain influences crystal orientation, facets exposed to external light, and atom rearrangement strongly affect catalytic activity. However, how rationally design a metal‐oxide heterojunction catalyst with featuring is great challenge. Herein, facile method adopted induce upon in situ exsolution of Ni nanoparticles from Ba 0.9 Ti 0.1 O 3‐δ (BTNO) perovskite oxide, hereby enhancing the photothermal reduction CO 2 . Lattice Ni‐exsolution dual regulation ensure that Ni‐anchored BTNO displays superb activity It shows yield 40.50 mmol g cat −1 h CH 4 19.62 , which are 14 73 times higher than those BaTiO 3 In addition, DRIFTS density functional theory (DFT) calculations reveal pathways modulates interfacial band structure enhances transfer photogenerated charge. Consequently, this study provides new approach for achieving highly efficient through engineering.

Язык: Английский

Процитировано

0

Plasmonic Nanomaterials in Photothermal Catalysis and Artificial Photosynthesis: Hot Electron Dynamics, Design Challenges, and Future Prospects DOI Open Access
Shijie Li,

Jilu Yang,

Xiaowen Ruan

и другие.

Advanced Functional Materials, Год журнала: 2025, Номер unknown

Опубликована: Март 17, 2025

Abstract Localized Surface Plasmon Resonance (LSPR)‐enabled nanomaterials provide a promising platform for photothermal catalysis and artificial photosynthesis, addressing critical energy environmental challenges. This review examines the dual role of LSPR in both hot electron dynamics localized heating effects to enhance catalytic reactions. Fundamental mechanisms are introduced, emphasizing how plasmon‐induced thermal generation synergistically drive chemical transformations. Recent advancements highlighted optimized nanoscale management strategies that reactivity selectivity applications discussed. Through detailed analysis material systems their scalability challenges, future directions developing robust, low‐cost plasmonic materials leverage sustainable, efficient solar‐to‐chemical conversion presented. aims guide design next‐generation diverse applications.

Язык: Английский

Процитировано

0

Cocatalysts for photocatalysis: Comprehensive insight into interfacial charge transfer mechanism by energy band theory DOI
Qian Li, Chenhui Wang,

Hongxia Yao

и другие.

Coordination Chemistry Reviews, Год журнала: 2025, Номер 535, С. 216652 - 216652

Опубликована: Апрель 3, 2025

Язык: Английский

Процитировано

0

Boosting Photon-generated Carrier Migration Process through Intercalation Strategy for Highly Photoelectric Performance Photo-Responsive Zinc-Ion Batteries DOI
Xiaoyu Chen, Yifan Jiang, Hang Li

и другие.

Acta Materialia, Год журнала: 2025, Номер 292, С. 121089 - 121089

Опубликована: Апрель 28, 2025

Язык: Английский

Процитировано

0

Metal oxide photoelectric synaptic transistor with CeOx floating gate and its application in neuromorphic computing DOI
Guangtan Miao,

L. Y. Shan,

Dong Yao

и другие.

Applied Physics Letters, Год журнала: 2025, Номер 126(19)

Опубликована: Май 12, 2025

Photoelectric synaptic transistors (PSTs) based on metal oxide semiconductors (MOSs) have shown promising applications in visual perception and photonic computing. However, the response range of PST is limited ultra-violet region due to wide bandgap MOS. Herein, a visible light-driven InGaZnO CeOx floating gate presented. The optical improved introduction oxygen vacancies gate, tunable characteristics are endowed. Various behaviors under light stimulation been simulated, including paired-pulse facilitation, high-pass filtering characteristics, transition from short-term memory long-term memory, learning-experience behavior. multilevel conductance modulation realized through programming electrical erasing operations. An artificial neural network was constructed plasticity PST, 95.3% accuracy achieved image recognition. This work promotes development oxide-based provides candidate for bionics inspired by light.

Язык: Английский

Процитировано

0

Light-driven N2 fixation for green NH3 production in H2–N2 energy storage systems DOI
Bilge Coşkuner Filiz, Korkut Açıkalın, Hülya Civelek Yörüklü

и другие.

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 134, С. 316 - 335

Опубликована: Май 15, 2025

Язык: Английский

Процитировано

0