Results 121 to 130 of about 6,452 (264)

Engineering Na‐Rich P2‐Type Layered Oxides Through Li/Ti Dual Doping for Oxygen Redox Activation and Superior Structural Stability

Advanced Energy Materials, EarlyView.
P2‐type sodium layered oxides have potential for high‐voltage operation but suffer from structural instability and capacity fading. This work demonstrates that synergistic Li and Ti co‐doping enhances sodium inventory, suppresses detrimental phase transitions, and activates reversible lattice oxygen redox.
Rishika Jakhar, Shrestha Ghosh, Adesh Rohan Mishra, Shristi Pradhan, Debalina Sarkar, Yuanlong Bill Zheng, Zengqing Zhuo, Tianyi Li, Lu Ma, Minghao Zhang, Shyue Ping Ong, Matthew Li, Leeann Sun, Prabhat Thapliyal, Jing Wang, Abhik Banerjee, Ying Shirley Meng   +16 more
wiley   +1 more source

Atomistic Insights Into Lithium Alloying and Crystallization at Metal Interlayers in Zero‐Excess Lithium Batteries

Advanced Energy Materials, EarlyView.
Molecular dynamics simulations with machine learning potentials, combined with experiments, reveal how interlayer metals govern Li alloying and crystallization in zero‐excess lithium batteries. Mg and Zn promote solid‐solution alloy‐mediated pathways that influence Li diffusion and structural uniformity, while Bi forms ordered intermetallics with more ...
Neubi F. Xavier Jr., Nicolas Rospars, Mohammed Srout, Matthew K. Sharpe, Pablo Hernández‐Martín, Callum D. McAleese, Satheesh Krishnamurthy, Tao Chen, Celia Polop, Andrea Ingenito, Qiong Cai   +10 more
wiley   +1 more source

Coupled Kähler-Einstein metrics

, 2016
18 ...
Hultgren, Jakob, Nyström, David Witt
openaire   +2 more sources

Disorder‐Driven Fast Na+ Transport: From Crystalline to Amorphous Networks in the Mixed‐Anion NaTaOxCl6−2x Oxychlorides

Advanced Energy Materials, EarlyView.
Oxygen substitution in NaTaOxCl6‐2x drives structural evolution from isolated [TaCl6]– octahedra, through oxygen‐bridged [Ta2OCl10]2– dimers, toward extended trans‐[TaO2Cl4]3– chain‐like arrangements. At intermediate compositions, zero‐dimensional corner‐sharing motifs are proposed to create a flexible, disordered framework that peaks ionic ...
Justin Leifeld, Abigail C. Parsons, Alexandra Morscher, Xabier Martinez de Irujo‐Labalde, Marvin A. Kraft, Oskar G. Soulas, Bibek Samanta, Wiebke Zielasko, Neelam Yadav, Kyra Strotmann, Niina Jalarvo, Bruno V. M. Rodrigues, Adam Slabon, Philipp Adelhelm, Michael Ryan Hansen, David O. Scanlon, Wolfgang G. Zeier, Alexander G. Squires   +17 more
wiley   +1 more source

Silicon‐Based Anodes for Sulfide Solid‐State Batteries: Failure Mechanisms and Multiscale Design Strategies

Advanced Energy Materials, EarlyView.
Silicon anodes in sulfide SSBs face coupled electrochemo‐mechanical failure by interface instability. This review examined recent advances and proposed mitigation strategies via material‐, electrode/interface‐, and cell‐level‐ engineering. We further evaluate scalable synthesis of sulfide SEs.
Murugesan Karuppaiah, JaeWook Seo, SeEun Park, Seung Hyeok Chu, Jung Kyoo Lee   +4 more
wiley   +1 more source

AInstein: numerical Einstein metrics via machine learning

AI for Science
A new semi-supervised machine learning package is introduced which successfully solves the Euclidean vacuum Einstein equations with a cosmological constant, without any symmetry assumptions.
Edward Hirst, Tancredi Schettini Gherardini, Alexander G Stapleton   +2 more
doaj   +1 more source

Kähler–Einstein metrics on Fano surfaces

Expositiones Mathematicae, 2012
In these notes we give an exposition of a result of G. Tian, which says that a Fano surfaces admits a Kahler-Einstein metric precisely when the Lie algebra of holomorphic vector fields is reductive.
openaire   +3 more sources

Mechanisms of Alkali Ionic Transport in Amorphous Oxyhalides Solid State Conductors

Advanced Energy Materials, EarlyView.
Large‐scale machine learning‐based molecular dynamics simulations are used to investigate isovalent amorphous oxyhalides, revealing a remarkable chemically independent ionic conductivity. A rigorous analysis of alkali residence times across different metal–anion environments identifies divalent anions as key diffusion bottlenecks.
Luca Binci, KyuJung Jun, Bowen Deng, Gerbrand Ceder   +3 more
wiley   +1 more source

A practical electrodialysis model for accelerating system development

AIChE Journal, EarlyView.
Abstract Empirical optimization of electrodialysis (ED) is dependent on repetitive experiments with incremental adjustments, which is cost prohibitive at scale. While models can reduce the costs associated with optimization and scale‐up, existing ED models are limited in application to specific use cases and tend to be developed for the exploration of ...
Smith Pittman, Douglas Fankell, Jason C. Quinn, Kenneth F. Reardon   +3 more
wiley   +1 more source

Programming Palladium Cage Geometry through Ligand Redox Modulation

Angewandte Chemie, EarlyView.
A neutral redox‐active exTTF ligand (L) forms a Pd2L4 cage, whereas its oxidized form (Lox) yields a Pd2(Lox)2 macrocycle. Lox further assembles with a dibenzothiophene derivative (L′) into Pd2(Lox)(L′)2 and Pd4(Lox)4(L′)4 architectures. Reduction of Pd2(Lox)2 and Pd2(Lox)(L′)2 restores the parent Pd2L4 cage, enabling redox controlled nuclearity ...
Jennifer Bou Zeid, Jean Nicolas, Maksym Dekhtiarenko, David Canevet, Magali Allain, Vincent Carré, Frédéric Aubriet, Laura Neukirch, Elie Benchimol, Marc Sallé, Guido H. Clever, Sébastien Goeb   +11 more
wiley   +2 more sources