ORCID Profile
0000-0001-7393-6406
Current Organisation
Lancaster University
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Publisher: Elsevier BV
Date: 10-2023
Publisher: American Chemical Society (ACS)
Date: 18-02-2022
Publisher: Springer Science and Business Media LLC
Date: 28-08-2020
Publisher: IOP Publishing
Date: 20-02-2023
Abstract: ZnO monolayer (ZnO-ML) is a novel two-dimensional (2D) nanomaterial with a structure and characteristics similar to graphene. The interaction between water molecules and ZnO-ML especially oxygen vacancy (V O ) decorated ZnO-ML (V O -ZnO-ML) has not been investigated yet. First-principles calculations are used to comprehensively investigate the adsorption configurations, electronic properties, and adsorption energy of a single H 2 O molecule on ZnO-ML. The H 2 O molecules and ZnO-ML interact strongly, with H 2 O serving as the charge accepter. ZnO-ML can maintain its nonmagnetic feature following the adsorption of H 2 O and the introduction of V O . For the H 2 O dissociation process on pure ZnO-ML, the reaction energy ( E r ) is 95.03 kJ ml −1 and the energy barrier ( E bar ) is 167.54 kJ mol −1 , respectively. The presence of V O can remarkably decrease the E bar and E r to half. Moreover, the E bar and E r can be further reduced with the increase of the V O density. The hydroxyl groups can stably exist on ZnO-ML, and the adsorption becomes stronger with the increase of the V O density. These findings provide details of the interaction between H 2 O and ZnO-ML, thereby facilitating the further research of 2D ZnO nanomaterial in photocatalysis, electrocatalysis, and smart devices.
Publisher: Wiley
Date: 11-11-2023
Abstract: This study concerns the improvement of the synergetic catalytic efficiency of Au–TiO 2 nanorods considering the local surface plasmon resonance (LSPR) effect of different Au nanoparticles (NPs). The absorption spectrum and selective absorption efficiency for visible light, the local electric field, and the generated thermal effect are specifically analyzed based on the multifield decoupling of LSPR‐assisted Au–TiO 2 catalysts. The simulation results show that the extinction spectra of both spherical and ellipsoidal Au particles are consistent with the experimental data. Interestingly, the latter is characterized by significant bimodal resonance modes. Comparatively, the simulation results show that the longitudinal mode, which is sensitive to the aspect ratio, is more favorable for the improvement of the photocatalytic activities. It is found that the resonance peaks are highly controllable, and are linear to the particle size and aspect ratio. Meanwhile, the electric field mode of TiO 2 is significantly increased under the resonance wavelength. It is worth mentioning that the superposition effect makes a non‐negligible impact on the actual catalysts, leading to a relative shift of resonance wavelength. The consideration of the hot spots caused by the superposition effect influence the photocatalytic results significantly, providing values in diminishing the inadaptability of the theory in near‐touching regions of plasma particles.
Publisher: Wiley
Date: 02-2023
Publisher: Elsevier BV
Date: 09-2023
Publisher: Routledge
Date: 16-03-2017
Publisher: Elsevier BV
Date: 08-2023
Publisher: Hindawi Limited
Date: 25-11-2019
DOI: 10.1002/ER.4992
Publisher: Royal Society of Chemistry (RSC)
Date: 2022
DOI: 10.1039/D2NA00140C
Abstract: The review of synergistic influence of optical, electric, magnetic, and thermal physical fields on the LSPR-assisted photocatalysis. Numerical methods with nano-scale visualization and decoupling calculations are specifically discussed.
Publisher: Elsevier BV
Date: 03-2021
Publisher: Elsevier BV
Date: 12-2023
Publisher: Elsevier BV
Date: 2024
Location: United Kingdom of Great Britain and Northern Ireland
Location: United Kingdom of Great Britain and Northern Ireland
Location: United Kingdom of Great Britain and Northern Ireland
No related grants have been discovered for Yanping Du.