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While bottom-up synthesis allows for precise control over the properties of graphene nanoribbons (GNRs), the use of certain precursor molecules can result in edge defects, such as missing benzene rings that resemble a 'bite'. We investigate the adverse eff ...
Aqueous zinc metal batteries with mild acidic electrolytes are considered promising candidates for large-scale energy storage. However, the Zn anode suffers from severe Zn dendrite growth and side reactions due to the unstable interfacial pH and the absenc ...
We provide an introduction to Gaussian process regression (GPR) machinelearning methods in computational materials science and chemistry. The focus of the present review is on the regression of atomistic properties: in particular, on the construction of in ...