日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Functionalization of zeolite-encapsulated Cu(5) clusters as visible-light photoactive sub-nanomaterials

沸石包覆的Cu(5)簇的功能化作为可见光光敏亚纳米材料

Krupka, Katarzyna M; Carroll, Lenard L; de Lara-Castells, María Pilar

A practical post-Hartree-Fock approach describing open-shell metal cluster-support interactions. Application to Cu(3) adsorption on benzene/coronene

一种描述开壳层金属簇-载体相互作用的实用后Hartree-Fock方法。应用于Cu(3)在苯/冠烯上的吸附。

Krupka, Katarzyna M; Krzemińska, Agnieszka; de Lara-Castells, María Pilar

Stability and Reversible Oxidation of Sub-Nanometric Cu(5) Metal Clusters: Integrated Experimental Study and Theoretical Modeling

亚纳米级Cu(5)金属团簇的稳定性和可逆氧化:实验研究与理论建模的综合分析

Buceta, David; Huseyinova, Shahana; Cuerva, Miguel; Lozano, Héctor; Giovanetti, Lisandro J; Ramallo-López, José M; López-Caballero, Patricia; Zanchet, Alexandre; Mitrushchenkov, Alexander O; Hauser, Andreas W; Barone, Giampaolo; Huck-Iriart, Cristián; Escudero, Carlos; Hernández-Garrido, Juan Carlos; Calvino, José Juan; López-Haro, Miguel; de Lara-Castells, María Pilar; Requejo, Félix G; López-Quintela, M Arturo

A Path Integral Molecular Dynamics Simulation of a Harpoon-Type Redox Reaction in a Helium Nanodroplet

氦纳米液滴中鱼叉型氧化还原反应的路径积分分子动力学模拟

Castillo-García, Alvaro; Hauser, Andreas W; de Lara-Castells, María Pilar; Villarreal, Pablo

Mini Review: Quantum Confinement of Atomic and Molecular Clusters in Carbon Nanotubes

简评:碳纳米管中原子和分子簇的量子限域效应

de Lara-Castells, María Pilar; Mitrushchenkov, Alexander O

Nonadiabatic Effects in the Molecular Oxidation of Subnanometric Cu(5) Clusters

亚纳米Cu(5)团簇分子氧化中的非绝热效应

Mitrushchenkov, Alexander O; Zanchet, Alexandre; Hauser, Andreas W; de Lara-Castells, María Pilar

Thermally Induced Diffusion and Restructuring of Iron Triade (Fe, Co, Ni) Nanoparticles Passivated by Several Layers of Gold

金层钝化铁三元(Fe、Co、Ni)纳米粒子的热致扩散和重构

Schnedlitz, Martin; Knez, Daniel; Lasserus, Maximilian; Hofer, Ferdinand; Fernández-Perea, Ricardo; Hauser, Andreas W; Pilar de Lara-Castells, María; Ernst, Wolfgang E