Journal ArticleDOI
Plasmonic control of solar-driven CO2 conversion at the metal/ZnO interfaces
Jiwu Zhao,Bingqian Liu,Lingshu Meng,Sha He,Rusheng Yuan,Yidong Hou,Zhengxin Ding,Huaxiang Lin,Zizhong Zhang,Xuxu Wang,Jinlin Long +10 more
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TLDR
In this paper, surface plasmon resonance mediated CO2 photoreduction was demonstrated with metal (Au, Ag, and Pd)/3D porous ZnO nanosheets (NSs).Abstract:
Molecular-level understanding of the solar-driven CO2 conversion is of importance to design high-efficiency artificial photosynthetic systems for rebalancing the global carbon cycle. Herein, some physical insights into the surface plasmon resonance (SPR) mediated CO2 photoreduction were demonstrated with metal (Au, Ag, and Pd)/3D porous ZnO nanosheets (NSs). Such plasmonic photocatalysts were designed elaborately to expose the polar {001} facet, based on the physical prototype of field-field coupling, in order to benefit chemical polarization and activation of the inert molecule. Among these plasmonic metals, gold was found to be not only more effective for promoting the solar-driven CO2 conversion, but unique for producing the higher hydrocarbon, C2H6. A 10-fold enhanced conversion efficiency and a quantum efficiency of 1.03% were achieved on Au/ZnO NSs at ca. 80% selectivity to hydrocarbons under solar light irradiation. The characterization results indicated that the metal-semiconductor interaction enables the electron-phonon decoupling to generate more amounts of energetic electrons in the excited ZnO NSs by a proposed pathway, called the SPR energy transfer induced interband transition that promotes the semiconductor photoexcitation, kinetically accelerating the conversion. Density functional theory calculations revealed that the field-field coupling greatly intensifies the surface polarization for adsorbates, charging negatively the C atom of CO2 and making O C O bond bent, along with the electrophilic attack by two competitive paths, leading to the concomitance of CO and CH4. The loading of plasmonic metal nanoparticles alters the molecular paths of CO2 conversion by tuning thermodynamically the first dehydroxylation step, consequently the product selectivity. Especially Au plasmon, it enables the CO hydrogenation path, making CH4 faster.read more
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Solar fuels: research and development strategies to accelerate photocatalytic CO2 conversion into hydrocarbon fuels
Eunhee Gong,Shahzad Ali,Chaitanya B. Hiragond,Hong Soo Kim,Niket S. Powar,Dongyun Kim,Hwapyong Kim,Su-Il In +7 more
TL;DR: In this article, a comprehensive review highlights the recent advances in CO2 photoreduction, including critical challenges such as light-harvesting, charge separation, and activation of CO2 molecules.
Journal ArticleDOI
Solar fuels: research and development strategies to accelerate photocatalytic CO<sub>2</sub> conversion into hydrocarbon fuels
TL;DR: In this article , the authors propose fundamentals, challenges, strategies, and prospects for photocatalytic CO 2 conversion research and propose a review of the current state of the art.
Journal ArticleDOI
Photocatalytic CO [sub] 2 reduction : a review of ab initio mechanism, kinetics, and multiscale modeling simulations
TL;DR: In this paper, the authors search for possible ways of reducing CO2 emissions or even capturing it from the atmosphere using catalytic reduction of CO2 into value-added chemicals has been discussed.
Journal ArticleDOI
Hierarchical Hollow Heterostructures for Photocatalytic CO2 Reduction and Water Splitting
Journal ArticleDOI
Photo-responsive chitosan/Ag/MoS2 for rapid bacteria-killing.
Min Zhu,Xiangmei Liu,Lei Tan,Zhenduo Cui,Yanqin Liang,Zhaoyang Li,Kelvin W.K. Yeung,Shuilin Wu +7 more
TL;DR: In vitro results showed that the antibacterial efficiency of the coating on Staphylococcus aureus and Escherichia coli was 98.66% and 99.77% respectively, when the coating was irradiated by 660 nm visible light for 20 min.
References
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Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
Journal ArticleDOI
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Projector augmented-wave method
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Journal ArticleDOI
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more
TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
Journal ArticleDOI
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: A detailed description and comparison of algorithms for performing ab-initio quantum-mechanical calculations using pseudopotentials and a plane-wave basis set is presented in this article. But this is not a comparison of our algorithm with the one presented in this paper.
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