Interrelationship between Different Aspect of Materials for Low Temperature Water Splitting Technologies

Abstract

One of challenging aspects of developing novel functional materials for water splitting technologies (or computational materials design in general) is that there are usually correlation between different aspect of material properties that are both relevant for the device performance, such as activity of catalyst and its stability, therefore focusing only on one (or limited number of) aspect does not necessary lead to satisfactory outcome as such a correlation tend to be detrimental in nature with small number of exception [1,2,3]. In this presentation, we will review our effort in understanding various cases of such conflicting conditions, in screening catalyst (stability vs activity[4]), in identifying materials synthesis condition (presence of competing phases[5,6]), in understanding the effect of operation conditions (ex. reaction vs diffusion of intermediates[7,8]/operation condition vs transport[9,10]). We will discuss possible strategies that could help us deconvoluting such correlating factors so as to accelerating materials discovery/development for low temperature water splitting technologies and beyond [11]. Y. Xiao et al., Nano Letters 22, 2236 (2022)G Zeng et al., Nature Mater. 20, 1130 (2021)Y. Liu et al., Nature Ener. 2, 1 (2017)W.I Choi et al., Adv. Ener. Mater. 5, 1501423 (2015)N. Gaillard et al., Mater. Adv. 2, 5752 (2021)J.A. Trindell et al., Chem. Mater. 34, 7712 (2022)J.C. Fornaciari et al., Electrochimica Acta 405, 139810 (2022)Z. Zou et al., ACS App. Ener. Mater. DOI:10.1021/acsaem.3c02136 (2023)A.J.E. Rowberg et al., Mater. Adv. 4, 6233 (2023)A.J.E. Rowberg et al., Phys. Rev. Mater. 7, 015402 (2023)M.D. Witman et al., Nature Comp. Sci. 3, 675 (2023)