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Physical Chemistry Chemical Physics : PCCP|January 2, 2026
A first-principles theoretical study on two-dimensional MX and MX<sub>2</sub> metal halides: bandgap engineering, magnetism, and catalytic descriptorsYu-Hsiu Lin, Daniel Maldonado-Lopez, Jose L Mendoza-Cortes
The Journal of Chemical Physics|March 2, 2020
Stability diagrams, defect tolerance, and absorption coefficients of hybrid halide semiconductors: High-throughput first-principles characterizationYuheng Li, Daniel Maldonado-Lopez, Valeria Ríos Vargas, et al.
ACS Catalysis|December 11, 2025
Enhanced Activity in Layered Metal-Oxide-Based Oxygen Evolution Catalysts by Layer-by-Layer Modulation of Metal-Ion IdentityRan Ding, Daniel Maldonado-Lopez, Jacob E Henebry, et al.
ACS Omega|October 3, 2022
Strain Effects on the Two-Dimensional Cr<sub>2</sub>N MXene: An Ab Initio StudySandra Julieta Gutiérrez-Ojeda, Rodrigo Ponce-Pérez, Daniel Maldonado-Lopez, et al.
ACS Nano|December 10, 2025
Enhanced Antibacterial Efficacy of Copper Single-Atom Catalysts on a Two-Dimensional Boron Nitride PlatformWenbo Li, Daniel Maldonado-Lopez, Yingcan Zhao, et al.
ACS Nano|May 23, 2023
Recent Advances in 2D Material Theory, Synthesis, Properties, and ApplicationsYu-Chuan Lin, Riccardo Torsi, Rehan Younas, et al.
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