2 papers
cond-mat.mtrl-sci2026
Unified Mapping of Multi-Site Electrocatalytic Activity Using a Single Descriptor
A. Dana, D. Terrones, S. Gelin +1
We present a precise and general method to map the activity of electrocatalysts across multiple sites. Starting from a mean-field statistical mechanics model, we introduce an effec…
cond-mat.mtrl-sci2025
Understanding and Controlling V-Doping and S-Vacancy Behavior in Two-Dimensional Semiconductors- Toward Predictive Design
Shreya Mathela, Zhuohang Yu, Zachary D. Ward +11
Doping in transition metal dichalcogenide (TMD) monolayers provides a powerful method to precisely tailor their electronic, optical, and catalytic properties for advanced technolog…