Results 111 to 120 of about 71,384 (267)

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

Advanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue, Dushuo Feng, Yuefei Zhang, Yang Zhang, Yalong Jiao, Aijun Du, Guoping Gao   +6 more
wiley   +1 more source

Surface‐Interaction‐Driven Polarity Switching in II–V Cd3P2 Colloidal Quantum Dots for Infrared Photodiodes

Advanced Science, EarlyView.
. ABSTRACT Colloidal quantum dots (CQDs) based on II–V semiconductors offer attractive optical absorption and carrier transport properties for infrared optoelectronics, yet their device‐relevant electronic behavior remains poorly understood. In particular, Cd3P2 CQDs have been constrained by limited control over nanocrystal growth and carrier polarity.
Ha‐Chi V. Tran, Doeun Shim, Youngsang Park, Mahnmin Choi, Hyeonjun Jeong, Guillaume Bonifas, Liyan Ouyang, Celine Nayral, Fabien Delpech, Joongoo Kang, Sohee Jeong   +10 more
wiley   +1 more source

Engineered Interfacial Control for Suppression of Phase Instability: Operando Visualization from Device to Module Scale

Advanced Science, EarlyView.
Operando real‐time current density–voltage absorption spectroscopy visualizes spatial phase evolution in mixed‐halide perovskites from device to module scale. Phase instability preferentially initiates in regions with insufficient carrier extraction, revealing electrical boundary conditions as governing factors.
Hangyeol Choi, Soo Woong Jeon, Wookyung Jeon, You‐Hyun Seo, Gill Sang Han, Myunghun Shin, Ji‐Sang Park, Jun Hong Noh, Yohan Yoon   +8 more
wiley   +1 more source

Machine Learning for Designing Perovskites and Perovskite‐Inspired Solar Materials: Emerging Opportunities and Challenges

Advanced Science, EarlyView.
This review offers a comprehensive comparison between perovskites and perovskite‐inspired materials (PIMs), focusing on their crystal structures, electronic properties, and chemical compositions. It evaluates the applicability of machine learning (ML) descriptors and models across both material classes.
Yangfan Zhang, Yiming Xia, Ali Shakiba, Hongrui Zhang, Xiaojing Hao, Priyank V. Kumar, Mahesh P. Suryawanshi   +6 more
wiley   +1 more source

Quantifying Strain and Its Effect on Charge Transport in Ge/Si Core/Shell Nanowires

Advanced Science, EarlyView.
This work demonstrates strain engineering in Ge/Si core–shell nanowires (CS NWs) by tuning the Ge core‐Si shell dimensions. Polarization‐resolved µ‐Raman and geometrical phase analysis quantify the resulting strain. Electronic transport measurements demonstrate record hole mobilities up to 25 400 cm2/Vs, highlighting these Ge/Si CS NWs as a promising ...
Aswathi K. Sivan, Nicolas Forrer, Aakash Shandilya, Yang Liu, Janica Böhler, Alexander Vogel, Arianna Nigro, Pierre Chevalier Kwon, Artemii Efimov, Ilya Golokolenov, Gerard Gadea, Riccardo Rurali, Andreas Baumgartner, Dominik M. Zumbühl, Ilaria Zardo   +14 more
wiley   +1 more source

Epitaxial Growth of p‐Type β‐Ga2O3 Thin Films and Demonstration of a p–n Diode

Advanced Electronic Materials, EarlyView.
This study demonstrates p‐type conductivity in β‐Ga2O3 via Te–Mg co‐doping using MOCVD. The films show tunable hole concentrations up to 1.78×1017 cm−3, and a fabricated p–n diode exhibits rectifying behavior. Density functional theory reveals that Te introduces an intermediate band, lowering the Mg acceptor ionization energy and enabling p‐type ...
Chuang Zhang, Hanzhao Song, Chee Keong Tan   +2 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, Michael Seibt, Martin Wenderoth, Oliver Bünermann, Ole Bunjes, Till Domröse, Christian Eckel, Francesca Falorsi, Christoph Flathmann, Monica Kolek Martinez de Azagra, Matthias Krüger, Jonas Lindner, Tobias Meyer, Claus Ropers, Ulrich Ross, Kai Rossnagel, Sreeju Sreekantan Nair Lalithambika, Simone Techert, Georg A. Traeger, Cynthia Volkert, R. Thomas Weitz, Alec M. Wodtke   +21 more
wiley   +1 more source

Spontaneous Perovskite Passivator Featuring Dual Functional Groups

Advanced Energy Materials, EarlyView.
A novel strategy to suppress multiple defect sites in perovskite crystals using a spontaneous passivator with dual functional groups is proposed, addressing an intrinsic drawback of conventional spontaneous perovskite passivators. 2‐thiophene‐ethyl‐ammonium‐bis(trifluoromethylsulfonyl)imide (TEA‐TFSI) is newly synthesized and successfully demonstrate ...
Naoyuki Nishimura, Yoyo Hinuma, Hiroyuki Kanda, Kohei Yamamoto, Hideyuki Takada, Masaki Yumoto, Daniela Serien, Kenichi Tashiro, Aiko Narazaki, Takurou N. Murakami   +9 more
wiley   +1 more source

Deciphering Intricacies in Directional CO2 Conversion From Electrolysis to CO2 Batteries

Advanced Energy Materials, EarlyView.
This review will delve into the inherent connections and distinctions of CO2‐directed conversion in ECO2RR and CO2 batteries, in terms of product types, catalyst selection, catalytic mechanisms, and electrochemical performances, while proposing a benchmarking framework for the evaluation of CO2 batteries and innovative CO2 battery configurations for ...
Changfan Xu, Huaping Zhao, Lizhuang Chen, Weidong Shi, Guosheng Shao, Yong Lei   +5 more
wiley   +1 more source

Editorial: Quantum Mechanical/Molecular Mechanical Approaches for the Investigation of Chemical Systems – Recent Developments and Advanced Applications

Frontiers in Chemistry, 2018
Thomas S. Hofer, Sam P. de Visser
doaj   +1 more source