Results 171 to 180 of about 13,478,919 (312)

Unraveling Meso-Substituent Steric Effects on the Mechanism of Hydrogen Evolution Reaction in Ni^II Porphyrin Hydrides Using DFT Method. [PDF]

Molecules
Li X, Feng A, Zu Y, Liu P.
europepmc   +1 more source

High‐Mobility Chalcogenophene‐Engineered Diketopyrrolopyrrole Mixed Ionic‐Electronic Conductors With Doping Tolerance for Low‐Power Organic Electrochemical Transistors

Advanced Materials, EarlyView.
Chalcogen substitution emerges as a powerful strategy for designing high‐performance OMIECs. In aliphatic–glycol side chain diketopyrrolopyrrole polymers, biselenophene incorporation promotes a planar, polarizable, and doping‐tolerant quinoidal framework, enabling PDPP‐4EG‐Se2 to combine high hole mobility, large µC*, enhanced operational stability ...
Shinbee Oh, Tae Hoon Kim, Dahyun Jeong, Ji Hwan Kim, Seungjin Lee, Tan Ngoc‐Lan Phan, Alexander Tipan‐Quishpe, Myung‐Han Yoon, Keehoon Kang, Bumjoon J. Kim   +9 more
wiley   +1 more source

The mechanism and activity of oxygen reduction reaction on single atom doped graphene: a DFT method. [PDF]

RSC Adv, 2019
Zhang X, Xia Z, Li H, Yu S, Wang S, Sun G.   +5 more
europepmc   +1 more source

1T‐to‐2H Phase Evolution During Epitaxial Growth of Transition Metal Dichalcogenides

Advanced Materials, EarlyView.
During MOCVD growth of MoS2 and WSe2, a transient metallic 1T phase emerges in early, edge‐rich, chalcogen‐deficient domains and declines as the films ultimately coalesce as 2H material. Together, experiments and ReaxFF simulations link domain size, edge stoichiometry, and vacancies to this evolution.
Andrew R. Graves, Yiru Zhu, Matin Salimi Irdmusa, Nadire Nayir, Thomas V. Mc Knight, Chen Chen, Ke Wang, Adri C. T. van Duin, Joan M. Redwing   +8 more
wiley   +1 more source

Demagnetization‐Driven Nanoscale Chirality‐Selective Phonon Transport

Advanced Materials, EarlyView.
Chiral heat flow is switched in a ferromagnet/chiral α‐SiO2 heterostructure by controlling the angular momentum of demagnetization‐driven chiral phonons. When phonon handedness matches the crystal chirality, nanoscale thermal transport is enhanced; the opposite handedness suppresses transport, establishing a magnetization‐tunable chiral phonon diode ...
In Hyeok Choi, Daeheon Kim, Yeon Jong Jin, Seungmo Yang, Tae‐Seong Ju, Changsoo Kim, Chanyong Hwang, Dongbin Shin, Jong Seok Lee   +8 more
wiley   +1 more source

Highly Sensitive Broadband Photodetectors Based on Donor–Acceptor 2D Conjugated Coordination Polymers

Advanced Materials, EarlyView.
Donor–acceptor molecular design and chemical vapor deposition growth enable the two‐dimensional nickel‐tetraaminobenzoquinone films with strong broadband absorption and efficient charge separation. The resulting photodetectors exhibit a structured broadband response with a high responsivity of ∼3.1 A W−1 and a response time of ∼170 µs, which surpasses ...
Yunxu Chen, Jinxin Liu, Shuai Fu, Apurba Mahapatra, Dongxu Wang, Mike Hambsch, Angelika Wrzesińska‐Lashkova, Jing Wang, Fabian Paulus, Yana Vaynzof, Stefan C. B. Mannsfeld, Fuchun Zhang, Mischa Bonn, Renhao Dong, Xinliang Feng   +14 more
wiley   +1 more source

Breaking Bottlenecks in Solid Electrolyte Discovery With Large Artificial Intelligence Models

Advanced Materials, EarlyView.
Large AI models are presented as a route to break key bottlenecks in solid electrolyte discovery by linking materials databases, machine‐learning interatomic potentials, large language models, and autonomous experiments. This perspective highlights how AI can accelerate the identification of solid electrolytes with fast ion transport, stable interfaces,
Eric Jianfeng Cheng, Min Hong, Zhiquan Zeng, Chuanyu Liu, Qian Wang, Melissa Jane Meadowcroft, Vlad Badilita, Carlos Miguel Costa, Senentxu Lanceros‐Méndez, Ying Li, Chenyao Ma, Weibo Gong, Surendra Kumar Martha, Aloysius Soon, Piao Ma, Di Zhang, Teguh Ariyanto, Sudaryanto, Hiroshi Kakinuma, Jie Zhao, Jiayu Peng, Pengfei Ou, Jun Lu, Shin‐ichi Orimo, Hao Li   +24 more
wiley   +1 more source

Pulsed Oxidative–Reductive Electrolysis Over Dual Cu and Co Single‐Atom Sites for Urea Electrosynthesis

Advanced Materials, EarlyView.
Alternating oxidative–reductive pulses synchronize CO2‐derived *CO and NH3‐derived *NHx intermediates over dual Cu and Co single‐atom sites, enabling urea and ethyl urea formation with a total C─N Faradaic efficiency of 42 ± 4%. In situ spectroscopy and theoretical calculations elucidate complementary Cu and Co functions, while oxidative controls ...
Putri Ramadhany, Peiqi Qiu, Thành Trần‐Phú, Denny Gunawan, Bernt Johannessen, Rosalie K. Hocking, Yan Jiao, Rose Amal, Rahman Daiyan   +8 more
wiley   +1 more source

Robust Spin Splitting and Fermiology in the Layered Altermagnet CoNb4${\rm CoNb}_4$Se8${\rm Se}_8$

Advanced Materials, EarlyView.
The emergence of an altermagnetic phase is demonstrated in the cobalt‐intercalated superconducting 2H‐NbSe2 polymorph. A combined theoretical and experimental approach directly probes the magnetism, the altermagnetic lifting of Kramers degeneracy, and the electronic phase space, establishing CoNb4Se8 as the first g‐wave altermagnetic layered material ...
Alessandro De Vita, Chiara Bigi, Davide Romanin, Matthew D. Watson, Vincent Polewczyk, Marta Zonno, François Bertran, Pietro M. Forcella, My Bang Petersen, Federico Motti, Giovanni Vinai, Manuel Tuniz, Federico Cilento, Mario Cuoco, Brian M. Andersen, Andreas Kreisel, Luciano Jacopo D'Onofrio, Oliver J. Clark, Mark T. Edmonds, Christopher Candelora, Muxian Xu, Siyu Cheng, Alexander LaFleur, Tommaso Antonelli, Giorgio Sangiovanni, Lorenzo Del Re, Ivana Vobornik, Jun Fujii, Fabio Miletto Granozio, Alessia Sambri, Emiliano Di Gennaro, Jeppe B. Jacobsen, Henrik Jacobsen, Iulia Cojocariu, Marcin Szpytma, Andrea Locatelli, Tevfik Mentes, Won Seop Song, Jun Sung Kim, Matthieu Jamet, Jean‐François Jacquot, Pasquale Orgiani, Ralph Ernstorfer, Ilija Zeljkovic, Younghun Hwang, Matteo Calandra, Jill A. Miwa, Federico Mazzola   +47 more
wiley   +1 more source

Chiral Phonon–Driven Ultrafast Spin Currents in a Non‐Magnetic Ferroelectric

Advanced Materials, EarlyView.
Broadband terahertz emission spectroscopy shows signatures of ultrafast spin‐current generation in non‐magnetic ferroelectric β$\beta$’‐In2Se3${\rm In}_2{\rm Se}_3$. Reversal of the emitted field upon sample inversion and substitution of Pt with W indicates spin‐Hall‐mediated charge conversion, while polarization‐resolved measurements reveal ...
Thomas B. Gill, Ahmet Yagmur, Matthew Rogers, Luke Benson, Nathan Fox, Ben Muggleton, Zabeada Aslam, Conor McCluskey, Phoenix Robinson, Oscar Cespedes, Bryan Hickey, Timothy Moorsom, Marty Gregg, Edmund H. Linfield, Sukhdeep Dhillon, Satoshi Sasaki, Joshua R. Freeman   +16 more
wiley   +1 more source