Results 151 to 160 of about 12,689 (247)
Advanced Electronic Materials, EarlyView.Point defects strongly influence the spin‐dependent electronic and transport properties of Co2HfSn and Co2ZrSn Heusler alloys. First‐principles calculations reveal that Co vacancies preserve half‐metallicity, while anti‐site and swap defects introduce minority‐spin states that reduce spin selectivity.
Alessandro Difalco +5 more
wiley +1 more source
Advancing Energy Materials by In Situ Atomic Scale Methods
Advanced Energy Materials, Volume 15, Issue 11, March 18, 2025.Progress in in situ atomic scale methods leads to an improved understanding of new and advanced energy materials, where a local understanding of complex, inhomogeneous systems or interfaces down to the atomic scale and quantum level is required. Topics from photovoltaics, dissipation losses, phase transitions, and chemical energy conversion are ...
Christian Jooss +21 more
wiley +1 more source
Smart Exploration of Perovskite Photovoltaics: From AI Driven Discovery to Autonomous Laboratories
Advanced Energy Materials, EarlyView.In this review, we summarize the fundamentals of AI in automated materials science, and review AI applications in perovskite solar cells. Then, we sum up recent progress in AI‐guided manufacturing optimization, and highlight AI‐driven high‐throughput and autonomous laboratories.
Wenning Chen +4 more
wiley +1 more source
Streamlined V3.5+ Electrolyte Production by Leveraging Chemical and Catalytic Reductions
Advanced Energy Materials, EarlyView.A tuned catalytic process for V3.5+ electrolyte production is shown to streamline the conventional chemical‐to‐catalytic sequence by extending catalysis into the rate‐determining reduction regime. This study shows that initiating catalysis in this regime shortens the overall production time by 67% based on rigorous thermodynamic and kinetic analysis of
Kyunghwa Seok +2 more
wiley +1 more source
Advanced Energy Materials, EarlyView.Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park +19 more
wiley +1 more source
Advanced Energy Materials, EarlyView.Ir‐based double perovskites restructure during acidic oxygen evolution electrocatalysis through dissolution of non‐Ir cations and convergence toward IrOx active‐site motifs with similar structure and intrinsic activity across compositions. The identity of the dissolving cations controls dissolution and surface reconstruction kinetics, clarifying how ...
Harrison H. Lippie +5 more
wiley +1 more source
Redesigning Interlayers for Anode‐Free Batteries: Harnessing Continuity and Metal Inventory
Advanced Energy Materials, EarlyView.Interlayers for anode‐free batteries must provide continuous interfacial coverage while remaining thin enough to preserve the finite cathode‐derived active‐metal inventory. This Perspective couples thin‐film closure with stoichiometric active‐metal consumption to reveal practical design windows across chemistry, substrate roughness, cathode loading ...
Rosalía Cid, Lorenzo Fallarino
wiley +1 more source
Advanced Energy Materials, EarlyView.This study presents ultrathin, high‐capacity aluminum‐air batteries (AABs) for self‐sustaining, skin‐conformal electronics. By utilizing ambient moisture and oxygen alongside a LiCl‐based hygroscopic hydrogel electrolyte, the design significantly reduces battery thickness while preventing dehydration and Al self‐corrosion.
Jaeil Park +12 more
wiley +1 more source
AIChE Journal, EarlyView.Abstract Electrification of distillation offers a promising route to reducing scope‐1 emissions from one of the chemical industry's most energy‐intensive unit operations. However, conventional adiabatic columns are dynamically inflexible: Long, energy‐intensive start‐ups make shutdown and restart impractical under variable electricity prices and ...
Samuel Mercer, Michael Baldea
wiley +1 more source