167 citations · 210 across the 14 of their papers we have counts for
15 papers
A hidden low-temperature transformation pathway in compositionally complex materials
Yujiao Li, Elaheh Akbarnejad, Quentin Bizot +9
Most compositionally complex materials (CCMs, frequently referred to as high entropy alloys) are metastable and their attractive properties often belong to kinetically trapped stat…
How is Water released in Hydrogen-Based Metal Oxide Reduction? Unraveling the Kinetic Bottleneck in Sustainable Metal Production
Zhaoxi Chen, Yulu He, Zhuoran Yao +11
Hydrogen-based direct reduction of metal oxides is a ubiquitous solid-gas redox process central to geophysics, sustainable metallurgy, redox energy cycles and catalysis. During thi…
Conditional spinodal decomposition in Li-Mg anodes for lithium metal batteries
Leonardo Shoji Aota, Aubin Leray, Yuqi Liu +14
The development of batteries with high energy density, short charging times and use of sustainable materials is critical for decarbonization. Magnesium (Mg)-based anodes for lithiu…
Understanding early stages of low-temperature hydrogen-driven direct co-reduction of Fe-Ni mixed oxide thin films at the near atomic scale
Emmanuel Uwayezu, Shaolou Wei, Yujiao Li +3
Kinetic understanding of hydrogen co-reduction of multinary and multi-phase oxides is of interest for enhancing sustainability of alloy production and transition to a hydrogen-base…
Controlling Metastability through Annealing of High-Entropy Nanoalloy Electrocatalysts to Boost Performance towards the Oxygen Evolution Reaction
Varatharaja Nallathambi, Aneeta Jose Puthussery, Andrea M. Mingers +7
Low-cost transition metal high-entropy nanoalloys are emerging as sustainable alternatives to platinum group electrocatalysts. Synthesis conditions of single-phase solid solutions…
Is Platinum a Proton Blocking Catalyst?
Aparna Saksena, Yujun Zhao, J. Manoj Prabhakar +3
Platinum, to date, is the most widely applied electrocatalyst for hydrogen evolution reaction (HER) in acidic media. It is assumed to be a proton-blocking catalyst with only surfac…
High-strength and ductile lightweight cast aluminium alloys with superlattice nano-layered fibres (SNL) and core-shell nano-particles
Hemant Kumar, Praveen Kumar, Dierk Raabe +2
Lightweight, high-strength structural materials are component enablers in transportation and aerospace, reducing carbon footprints and enhancing fuel efficiency. Cast aluminium all…
Kinetically controlling surface atom arrangements in thermally robust, amorphous high-entropy alloy nanoparticles by solvent selection
Varatharaja Nallathambi, Se-Ho Kim, Baptiste Gault +3
The ability to tailor nanoscale surface atom arrangements through multi-elemental compositional control provides high-entropy nanoalloys with promising functional properties. Devel…
Secondary Grain Boundary Dislocations Alter Segregation Energy Spectra
Xinren Chen, William Gonçalves, Yi Hu +9
Grain boundaries (GBs) trigger structure-specific chemical segregation of solute atoms. According to the three-dimensional (3D) topology of grains, GBs - although defined as planar…
An atomic-scale view at Fe4N as hydrogen barrier material
Aleksander Albrecht, Sang Yoon Song, Chang-Gi Lee +9
Hydrogen, while a promising sustainable energy carrier, presents challenges such as the embrittlement of materials due to its ability to penetrate and weaken their crystal structur…
Development of an Atomic Cluster Expansion potential for iron and its oxides
Baptiste Bienvenu, Mira Todorova, Jörg Neugebauer +4
The combined structural and electronic complexity of iron oxides poses many challenges to atomistic modeling. To leverage limitations in terms of the accessible length and time sca…
Grain boundaries control lithiation of solid solution substrates in lithium metal batteries
Leonardo Shoji Aota, Chanwon Jung, Siyuan Zhang +9
The development of sustainable transportation and communication systems requires an increase in both energy density and capacity retention of Li-batteries. Using substrates forming…
Segregation at prior austenite grain boundaries: the competition between boron and hydrogen
Guillaume Hachet, Ali Tehranchi, Hao Shi +8
The interaction between boron and hydrogen at grain boundaries has been investigated experimentally and numerically in boron-doped and boron-free martensitic steels using thermal d…
Roadmap on Data-Centric Materials Science
Stefan Bauer, Peter Benner, Tristan Bereau +58
Science is and always has been based on data, but the terms "data-centric" and the "4th paradigm of" materials research indicate a radical change in how information is retrieved, h…
Sustainable steel through hydrogen plasma reduction of iron ore: process, kinetics, microstructure, chemistry
I. R. Souza Filho, Y. Ma, M. Kulse +4
Fe- and steelmaking is the largest single industrial CO2 emitter, accounting for 6.5% of all CO2 emissions on the planet. This fact challenges the current technologies to achieve c…