Data-driven design of electrocatalysts: principle, progress, and perspective

Abstract

To achieve carbon neutrality, electrocatalysis has the potential to be applied in the technological upgrading of many industries. Therefore, the search for high-performance catalysts has become an important topic. To...

Interfacial engineering of transition metal dichalcogenide/carbon heterostructures for electrochemical energy applications

“…Ultimately, this approach will significantly enhance the precision of the interfacial structure–electrochemical property relationship. 288…”

Accelerating materials research with a comprehensive data management tool: a case study on an electrochemical laboratory

“…However, a comprehensive data workflow is still missing for materials science in general and electrochemistry in particular. 35…”

“…However, a comprehensive data workow is still missing for materials science in general and electrochemistry in particular. 35 Instead, conventional data management oen relies on dynamically growing folder structures with customized le naming schemes for data and metadata les as well as handwritten notes. To keep les organized and links between metadata and data comprehensible, strategies for the proper naming of les and folders have been suggested.…”

Efficient design and synthesis of an amorphous conjugated polymer network for a metal-free electrocatalyst of hydrogen evolution reaction

“…Machine learning has been applied to the exploration of new materials, optimization of processes, and enhancement of performances. [13][14][15][16][17][18][19][20][21] However, big data sufficient for machine learning is not always available, particularly in conventional experiments in the laboratory. Our group has studied sparse modeling for small data (SpM-S) to construct prediction models based on small data with a combination of machine learning and chemical insights (Fig.…”