Results 181 to 190 of about 64,958 (266)

Molecular Design and Interfacial Functions of Self‐Assembled Monolayers for Perovskite and Tandem Solar Cells

open access: yesAdvanced Energy Materials, EarlyView.
We identify two decisive levers for SAM interfaces: molecular design (carboxylic acid‐based, phosphonic acid, other anchoring chemistries, and polymeric SAMs) and mixing routes (co‐assembly, in situ assembly, pre‐ and post‐treatment). Coordinated tuning of headgroups and assembly pathways optimises energy alignment and film formation, suppresses ...
Jiaxu Zhang, Bochun Kang, Feng Yan
wiley   +1 more source

Unveiling the High‐Voltage Reactivity and Gas Evolution With Aluminum‐Based Chloride and Oxychloride Catholytes in Solid‐State Sodium Batteries

open access: yesAdvanced Energy Materials, EarlyView.
The work examines the electrochemical and interfacial behaviors of crystalline NaAlCl4 and amorphous Na–Al–oxychloride solid electrolytes with NaNi0.5Mn0.5O2 cathodes. Operando gas evolution and ToF‐SIMS analyses highlight that pure chloride solid electrolytes offer greater interfacial stability and safety compared to the oxychloride solid electrolytes
Erick Ruoff   +2 more
wiley   +1 more source

Organic Photoelectrochemical Cells Beyond Performance: Interface and Catalyst Engineering for Durability

open access: yesAdvanced Energy Materials, EarlyView.
Organic photoelectrochemical cells based on π‐conjugated semiconductors offer a versatile platform for solar fuel generation. This review outlines operating principles, device architectures, and key metrics, and highlights advances in p‐ and n‐type photoelectrodes, interfacial engineering, and catalyst integration.
Jaehyeong Kim   +8 more
wiley   +1 more source

Deoxyradiofluorination of Phenols via a Difluoromethoxy Nucleofuge Enabled by Organic Photoredox Catalysis. [PDF]

open access: yesACS Cent Sci
Mungalpara MN   +12 more
europepmc   +1 more source

Molecular Design Strategies for High‐Voltage Organic Cathodes

open access: yesAdvanced Energy Materials, EarlyView.
This work proposes molecular engineering strategies for high‐voltage organic cathode materials for Li‐ion batteries: (1) increase Li‐O coordination number (CN), (2) achieve a greater increase in aromaticity upon reduction (∆Aromaticity), and (3) add an electron‐withdrawing group (EWG), through a combined experimental and computational study on reported
Sungil Hong   +8 more
wiley   +1 more source

Universally Accurate or Specifically Inadequate? Stress‐Testing General Purpose Machine Learning Interatomic Potentials

open access: yesAdvanced Intelligent Discovery, EarlyView.
We investigate MACE‐MP‐0 and M3GNet, two general‐purpose machine learning potentials, in materials discovery and find that both generally yield reliable predictions. At the same time, both potentials show a bias towards overstabilizing high energy metastable states. We deduce a metric to quantify when these potentials are safe to use.
Konstantin S. Jakob   +2 more
wiley   +1 more source

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