11 citations · 13 across the 4 of their papers we have counts for
6 papers
How Does Intercalation Reshape Layered Structures? A First-Principles Study of Sodium Insertion in Layered Potassium Birnessite
Adriana Lee Punaro, Daniel Maldonado-Lopez, Jorge L. Cholula-Díaz +2
This study presents a first-principles study at the level of hybrid-level density functional theory of the sodium intercalation process in a layered potassium birnessite (a layered…
A first-principles theoretical study on two-dimensional MX and MX metal halides: bandgap engineering, magnetism, and catalytic descriptors
Yu-Hsiu Lin, Daniel Maldonado-Lopez, Jose L. Mendoza-Cortes
Metal halides, particularly MX and MX compounds (where M represents metal elements and X = F, Cl, Br, I), have attracted significant interest due to their diverse electronic an…
Enhanced activity in layered-metal-oxide-based oxygen evolution catalysts by layer-by-layer modulation of metal ion identity
Ran Ding, Daniel Maldonado-Lopez, Jacob E. Henebry +2
Few-layered potassium nickel and cobalt oxides show drastic differences in catalytic activity based on metal ion preorganization. Uniform compositions $[(\mathrm{CoO}_2/\mathrm{K})…
Terahertz control of surface topology probed with subatomic resolution
Vedran Jelic, Stefanie Adams, Daniel Maldonado-Lopez +4
Light-induced phase transitions offer a method to dynamically modulate topological states in bulk complex materials. Yet, next-generation devices demand nanoscale architectures wit…
Nitrogen-containing Surface Ligands Lead to False Positives for Photofixation of N on Metal Oxide Nanocrystals: An Experimental and Theoretical Study
Daniel Maldonado-Lopez, Po-Wei Huang, Karla R. Sanchez-Lievanos +4
Many ligands commonly used to prepare nanoparticle catalysts with precise nanoscale features contain nitrogen (e.g., oleylamine); here, we found that the use of nitrogen-containing…
Understanding the non-collinear antiferromagnetic IrMn surfaces and their exchange-biased heterostructures from first principles
Daniel Maldonado-Lopez, Noboru Takeuchi, Jonathan Guerrero-Sanchez
We provide a complete and systematic first-principles study of the thermodynamic stability, structural parameters, and magnetic properties of the T1 non-collinear antiferromagnetic…