Should All Electrochemical Energy Materials Be Isomaterially Heterostructured to Optimize Contra and Co-varying Physicochemical Properties?

Abstract

Sustainable energy and chemical/material transformation constrained by limited greenhouse gas generation impose a grand challenge and posit outstanding opportunities to electrochemical material devices. Dramatic advancements in experimental and computational methodologies have captured detailed insights into the working of these material devices at a molecular scale and have brought to light some fundamental constraints that impose bounds on efficiency. We propose that the coupling of molecular events in the material device gives rise to contra-varying or co-varying properties and efficiency improving partial decoupling of such properties can be achieved via introducing engineered heterogeneities. A specific class of engineered heterogeneity is in the form of isomaterial heterostructures comprised of non-native and native polymorphs. The non-native polymorph differs from their native/ground state bulk polymorph in terms of its discrete translational symmetry and we anticipate specific symmetry relationships exist between non-native and native structures that enable the formation of interfaces that enhance efficiency. We present circumstantial evidence and provide speculative mechanisms for such an approach with the hope that a more comprehensive delineation of proposed material design will be undertaken.