Results 41 to 50 of about 15,587 (201)

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

Advanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu, Hsi‐wen Wu, Xiao Wang, Jie Zhang   +3 more
wiley   +1 more source

A Cu‐Based Near‐IR Active MOF with an Ion‐Pair Guest Exhibiting Versatile and Selective Gas‐Solid Reactivity

Advanced Materials, EarlyView.
The new Cu‐containing MOF (Me2NH2)(CuICl2)@[Cu4(INA)4Cl2O]·1.5dmf (3) contains a cation and an anion as guests and shows UV‐near‐mid‐IR absorption and near‐IR emission. MOF 3 shows gas‐solid reactivity in the presence of NH3 and HCOOH to yield two new 3D MOF.
Rajat Saha, Alejandro Cortés‐Villena, Silvia Gómez‐Coca, Alberto Fernández‐Alarcón, Joaquín Calbo, Raquel E. Galian, Enrique Ortí, Eliseo Ruiz, Mónica Giménez‐Marqués, Samia Benmansour, Carlos J. Gómez‐García   +10 more
wiley   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

Thermodynamic Limits to Molecular Doping in Conjugated Polymers: A Perspective on Phase Behavior and Miscibility

Advanced Materials, EarlyView.
Molecular doping of conjugated polymers is fundamentally constrained by thermodynamic phase behavior. This Perspective reframes doping efficiency and stability in terms of miscibility limits, binodals, and solvus boundaries, highlighting the role of effective interaction parameters and charge transfer.
Somayeh Kashani, Justin Neu, Sung‐Joo Kwon, Runqio Song, Zixuan Chen, Tajah Trapier, Paschalis Gkoupidenis, David Ginger, Wei You, Jasper J. Michels, Harald Ade   +10 more
wiley   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Mechanistically Interpretable Artificial Intelligence for Designing Oxygen Electrocatalysts

Advanced Materials, EarlyView.
Mechanistically interpretable artificial intelligence screens nearly seven million perovskite compositions and identifies key descriptors—d‐p hybridization and densification resistance—that govern oxygen electrocatalysis. The discovered BaCo0.8Nb0.1Zr0.1O3‐δ achieves a record 2.68 W cm−2 peak power density at 600°C with over 500 h of durable operation ...
Xueyu Hu, Yucun Zhou, Haoyu Li, Zheyu Luo, Nai Shi, Yong Ding, Weining Wang, Weilin Zhang, Doyeub Kim, Chanho Kim, Yoojin Ahn, Nikhil Govindarajan, Minda Zou, Zhijun Liu, Yuefeng Song, Meilin Liu   +15 more
wiley   +1 more source

Closed‐Loop Solid‐State Synthesis Planning for Materials Discovery With Large Language Models

Advanced Materials, EarlyView.
Leveraging literature data, we build a large‐language‐model‐driven workflow that extracts synthesis steps from 4407 papers, retrieves similar precedents, and generates candidate solid‐state synthesis recipes. The system benchmarks against ground‐truth and then operates in a closed loop with experiments to synthesize oxy‐selenide electrolyte materials ...
Dong Won Jeon, Dong Hwi Kim, Taeyang Jeon, Joo Yeong Na, Heegyu Kim, Hyunsouk Cho, Dae Soo Jung, Ju Li, Jin‐Sung Park, Sung Beom Cho   +9 more
wiley   +1 more source

A Family of Sodium Solid‐State Electrolytes Based on the NaGaxAl1‐xCl4 Solid Solution

Advanced Materials Interfaces, EarlyView.
ABSTRACT Sodium‐based metal chloride solid electrolytes are promising for sodium solid‐state batteries due to their excellent oxidation stability, which, as shown for Li halides, can coexist with high ionic conductivity. To explore cationic substitution effects, we synthesized NaGaxAl1‐xCl4 (0 ≤ x ≤ 1) via ball milling and investigated structural and ...
Hao Guo, Matteo Bianchini
wiley   +1 more source

From the Discovery of the Giant Magnetocaloric Effect to the Development of High‐Power‐Density Systems

Advanced Materials Technologies, EarlyView.
The article overviews past and current efforts on caloric materials and systems, highlighting the contributions of Ames National Laboratory to the field. Solid‐state caloric heat pumping is an innovative method that can be implemented in a wide range of cooling and heating applications.
Agata Czernuszewicz, Yaroslav Mudryk, Jun Cui, Lucas Griffith, Duane D. Johnson, Julie Slaughter   +5 more
wiley   +1 more source

Benchmarking Coaxial and Angular Optical Emission Spectroscopy With Recommendations for Reliable Compositional In Situ Monitoring During Laser Powder Bed Fusion

Advanced Materials Technologies, EarlyView.
ABSTRACT Real‐time insight into local chemistry is critical for reliable part quality in additive manufacturing, especially laser powder bed fusion (PBF‑LB/M), where rapid thermal cycles and localized evaporation can undermine part performance. Optical emission spectroscopy (OES) offers non‑intrusive, in situ plume monitoring, but detection geometry ...
Philipp Gabriel, Bastian Jülich, Anna Rosa Ziefuss, Florian Eibl, Stephan Barcikowski   +4 more
wiley   +1 more source