Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review

VT Sabe, T Ntombela, LA Jhamba… - European Journal of …, 2021 - Elsevier
Computer-aided drug design (CADD) is one of the pivotal approaches to contemporary pre-
clinical drug discovery, and various computational techniques and software programs are …

Heterogeneous trimetallic nanoparticles as catalysts

JWM Crawley, IE Gow, N Lawes, I Kowalec… - Chemical …, 2022 - ACS Publications
The development and application of trimetallic nanoparticles continues to accelerate rapidly
as a result of advances in materials design, synthetic control, and reaction characterization …

Current progress of Pt-based ORR electrocatalysts for PEMFCs: An integrated view combining theory and experiment

H Cruz-Martínez, H Rojas-Chávez… - Materials Today …, 2021 - Elsevier
The sluggish kinetics of oxygen reduction reaction (ORR) affects the massive use of polymer
exchange membrane fuel cells (PEMFCs). Therefore, the use of electrocatalysts is required …

Recent progress in carbon nanotubes support materials for Pt-based cathode catalysts in PEM fuel cells

JC Ortiz-Herrera, H Cruz-Martínez… - International Journal of …, 2022 - Elsevier
Support materials have a significant impact on catalytic activity, stability, and performance of
catalysts toward the oxygen reduction reaction (ORR). The properties of carbon-based …

Mexican contributions for the improvement of electrocatalytic properties for the oxygen reduction reaction in PEM fuel cells

H Cruz-Martínez, MM Tellez-Cruz… - international journal of …, 2019 - Elsevier
Like the rest of the world, Mexico faces severe environmental challenges due to its energy
dependence on fossil fuels, for that reason Mexican researchers have conducted studies …

Effect of Different Carbon Supports on the Activity of PtNi Bimetallic Catalysts toward the Oxygen Reduction

JC Ortíz-Herrera, MM Tellez-Cruz, O Solorza-Feria… - Catalysts, 2022 - mdpi.com
To evaluate supports' effects on catalytic activity toward the oxygen reduction reaction
(ORR), a simple and controlled chemical synthesis, involving the hot injection of metal …

NiPdPt trimetallic nanoparticles as efficient electrocatalysts towards the oxygen reduction reaction

H Cruz-Martínez, MM Tellez-Cruz… - international journal of …, 2019 - Elsevier
In this article, the synthesis and characterization of NiPdPt (60: 20: 20 wt.%) nanoparticles
supported on Vulcan carbon are analyzed towards the oxygen reduction reaction (ORR) in …

Catalytic activity trends from pure Pd nanoclusters to M@ PdPt (M= Co, Ni, and Cu) core-shell nanoclusters for the oxygen reduction reaction: A first-principles analysis

H Cruz-Martínez, MM Tellez-Cruz… - International Journal of …, 2020 - Elsevier
The trends of the catalytic activity toward the oxygen reaction reduction (ORR) from Pd 44
nanoclusters to M 6@ Pd 30 Pt 8 (M= Co, Ni, and Cu) core-shell nanoclusters was …

Tailoring the morphology of Ni–Pt nanocatalysts through the variation of oleylamine and oleic acid: a study on oxygen reduction from synthesis to fuel cell application

JL Reyes-Rodríguez, A Velázquez-Osorio… - Catalysis Science & …, 2019 - pubs.rsc.org
Recent research has focused on the control of the geometric shape of nanoparticles (NPs) to
improve their catalytic activity for the oxygen reduction reaction (ORR) in PEM fuel cells. This …

First-principle investigation of structures and energy properties of (Pt 3 Cu) n, n= 10–11 nanoclusters

CD Galindo-Uribe, P Calaminici… - Theoretical Chemistry …, 2023 - Springer
A first-principle study of (Pt 3 Cu) nn= 10–11 nanoclusters was performed using the linear
combination of Gaussian-type orbitals within the auxiliary density functional theory (ADFT) …