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

Deciphering Size and Shape Effects on the Structure Sensitivity of the CO(2) Methanation Reaction on Nickel

解析镍上CO(2)甲烷化反应的尺寸和形状效应对结构敏感性的影响

Spanò, Gabriele; Ferri, Matteo; Cheula, Raffaele; Monai, Matteo; Weckhuysen, Bert M; Maestri, Matteo

Accessing Numerical Energy Hessians with Graph Neural Network Potentials and Their Application in Heterogeneous Catalysis

利用图神经网络势函数获取数值能量Hessian矩阵及其在非均相催化中的应用

Wander, Brook; Musielewicz, Joseph; Cheula, Raffaele; Kitchin, John R

Local Ordering of Molten Salts at NiO Crystal Interfaces Promotes High-Index Faceting

NiO晶体界面处熔盐的局部有序化促进高指数晶面的形成

Cheula, Raffaele; Susman, Mariano D; West, David H; Chinta, Sivadinarayana; Rimer, Jeffrey D; Maestri, Matteo

Mechanistic and multiscale aspects of thermo-catalytic CO(2) conversion to C(1) products

热催化CO₂转化为C₁产物的机理和多尺度研究

Alam, Md Imteyaz; Cheula, Raffaele; Moroni, Gianluca; Nardi, Luca; Maestri, Matteo

Prediction of morphological changes of catalyst materials under reaction conditions by combined ab initio thermodynamics and microkinetic modelling

结合从头算热力学和微观动力学模型预测催化剂材料在反应条件下的形貌变化

Cheula, Raffaele; Soon, Aloysius; Maestri, Matteo