Editor’s Choice: Computational studies of nanomaterials for energy, catalysis and electronics

Computational studies of nanomaterials for energy, catalysis and electronics

A collection of articles selected by Xiao Cheng Zeng

Professor Xiao Cheng Zeng, University of Nebraska-Lincoln, USA, and Associate Editor for Nanoscale and Nanoscale Advances, presents his highlights of the latest computational research published in the journals on nanomaterials for energy, catalysis and electronics.


Professor Xiao Cheng Zeng

“Computational nanomaterials research has been playing a growing role over the past decade in the design of new nanomaterials, bringing deeper insights into novel properties of nanomaterials, supporting and corroborating experimental research, and gathering new data for machine learning and model development.

This online collection from Nanoscale and Nanoscale Advances covers several active areas of computational nanomaterials research, including design and/or investigation of nanoscale and single-atom catalysts, low-dimensional ferromagnetic, ferroelectric and multiferroic materials, low-dimensional semiconductors, halide perovskites, protein-ligand binding affinity, plasmonic nanoparticles, and metal nanoclusters. We hope this themed collection will be informative to contemporary computational nanomaterials research.”


Read the collection


We hope you enjoy reading these articles.

Best wishes,

Professor Xiao Cheng Zeng

University of Nebraska-Lincoln, USA


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