文献列表

MedeA部分文献列表：

2022：

Molecular Simulations for Improved Process Modeling of an Acid Gas Removal Unit  Marianna Yiannourakou, Xavier Rozanska, Benoit Minisini, Frédérick de Meyer 

doi.org/10.1016/j.fluid.2022.113478

Computational Screening Methodology Identifies Effective Solvents for CO2 Capture  A.A. Orlov, A. Valtz, C. Coquelet, X. Rozanska, E. Wimmer, G. Marcou, D. Horvath, B. Poulain, A. Varnek, F. de Meyer

doi.org/10.1038/s42004-022-00654-y

Machine Learning for Metallurgy: A Neural-Network Potential for Zirconium

Manura Liyanage, David Reith, Volker Eyert and W. A. Curtin1

doi.org/10.1103/PhysRevMaterials.6.063804

LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Aidan P. Thompson, H. Metin Aktulga, Richard Berger, Dan S.Bolintineanu, W. Michael Brown, Paul S. Crozier, Pieter J.in 't Veld, Axel Kohlmeyer, Stan G.Moore, Trung Dac Nguyen, Ray Shan, Mark J. Stevens, JulienTranchida, ChristianTrott, Steven J. Plimpton

doi.org/10.1016/j.cpc.2021.108171

2021：

A closed-host bi-layer dense/porous solid electrolyte interphase for enhanced lithium-metal anode stability

doi.org/10.1016/j.mattod.2021.04.018

Exploration of in-situ formed MoSx catalyst for co-hydrodeoxygenation of sawdust and vacuum gas oil in pilot-scale plant

Liu D, Li Z, Wu C, et al

doi.org/10.1016/j.apcatb.2021.120499

Engineering interfacial coupling between Mo2C nanosheets and Co@ NC polyhedron for boosting electrocatalytic water splitting and zinc-air batteries

doi.org/10.1016/j.apcatb.2021.120360

Identifying electrocatalytic activity and mechanism of Ce1/3NbO3 perovskite

doi.org/10.1016/j.apcatb.2020.119419

Giant Red‐Shifted Emission in (Sr, Ba) Y2O4: Eu2+ Phosphor Toward Broadband Near‐Infrared Luminescence

doi.org/10.1002/adfm.202103927

Interfacial Charge Transfer between Silver Phosphate and W2N3 Induced by Nitrogen Vacancies Enhances Removal of β‐Lactam Antibiotics

doi.org/10.1002/adfm.202108814

Superhierarchical Inorganic/Organic Nanocomposites Exhibiting Simultaneous Ultrahigh Dielectric Energy Density and High Efficiency

doi.org/10.1002/adfm.202007994

Molybdenum Dioxide Nanoparticles Anchored on Nitrogen-Doped Carbon Nanotubes as Oxidative 

Desulfurization Catalysts: Role of Electron Transfer in Activity and Reusability

doi.org/10.1002/adfm.202100442

Carbon fiber synthesis from pitch: Insights from ReaxFF based molecular dynamics simulations

doi.org/10.1016/j.carbon.2021.01.151

Structural study and evaluation of thermoelectric properties of single-phase isocubanite (CuFe2S3) synthesized via an ultra-fast efficient microwave radiation technique

doi.org/10.1039/D1SE01007G

First principles computation of composition dependent elastic constants of omega in titanium alloys: implications on mechanical behavior

doi.org/10.1038/s41598-021-91594-5