Light-harvesting properties of photocatalyst supports-no photon left behind  

作　　者：Athanasios A.Tountas Anselm Dreher Wenjie Zhou Abhinav Mohan Nazir P.Kherani Geoffrey A.Ozin Mohini M.Sain 

机构地区：[1]University of Toronto,Department of Chemical Engineering and Applied Chemistry,Toronto,ON,Canada [2]Karlsruhe Institute of Technology,Institute for Micro Process Engineering(IMVT),Karlsruhe,Germany [3]California Institute of Technology,Department of Mechanical and Civil Engineering,Pasadena,CA,91106,USA [4]University of Toronto,Department of Mechanical and Industrial Engineering Toronto,Toronto,ON,Canada [5]University of Toronto,Department of Materials Science and Engineering,Toronto,ON,Canada [6]University of Toronto,Department of Chemistry,Toronto,ON,Canada

出　　处：《npj Computational Materials》2024年第1期703-713,共11页计算材料学(英文)

摘　　要：In this work,we set out to elucidate the light-harvesting properties of various random and ordered photocatalyst supports(PSs)with different macropore sizes.To accomplish this,we propose two studies of increasing relevance,enabled by computed tomography(CT)reconstructions and raytracing COMSOL Multiphysics simulations:(a)a 360-degree light release study approximating a PS situated within a compound parabolic concentrator(CPC)or cylindrical LED reactor with open ends;and(b)the same systemas before but with closed ends.The ordered geometry is of interest,as it can be 3D printed at scale with a tailored morphology and porosity,and it can potentially be refined using machine learning models to optimize its light-harvesting properties.As will be shown,the local volumetric light absorption(LVLA)data suggests that an ordered PSwith amore open pore interior and a smaller pore exterior would begin to approach the more isophotonic light-harvesting properties of random PSs.

关 键 词：properties CATALYST ORDERED 

分 类 号：O17[理学—数学]