Results 151 to 160 of about 166,181 (310)

The Ni,Cd Heteroatoms‐Initiated Synergistic Tuning of Electron Configuration in Fe2VO4 Nanosheets Electrocatalysts to Profoundly Stabilize Alkaline Seawater Electrolysis

Advanced Functional Materials, EarlyView.
A Ni,Cd‐codoped Fe2VO4/NF bifunctional electrocatalyst is rationally designed for efficient seawater electrolysis. Synergistic effect modulates electron configuration, optimizes intermediates adsorption, stabilizes high‐valence Fe/V sites, and repels chloride ions to suppress corrosion and side reactions, thus contributing to performance improvement of
Weiguo Huang, Bin Fang, Tao Meng, Xiaodong Chen, Ya Chen, Xin Gao, Fei Liang, Hongchao Sun, Jiangmin Zou, Chao Yuan, Yuanyuan Shao, Peiyi Ji, Yangang Wang, Lifeng Cui, Guoxiu Wang, Duu‐Jong Lee   +15 more
wiley   +1 more source

Dipole‐Engineered Conductive Additives for Ultrastable Interphase Evolution in High‐Areal‐Capacity Silicon Anodes

Advanced Functional Materials, EarlyView.
In the work reported herein, dipole‐engineered sulfonated carbon nanofibers enable conductive additives to actively regulate interphase formation in silicon anodes. Polar sulfonyl groups guide electrolyte decomposition to form a compact LiF‐rich interphase while promoting robust integration with silicon.
Song Kyu Kang, Hyeonju Kim, Jeongbin Cho, Minseon Park, Taehun Kim, Seonghun Sin, Won Bae Kim   +6 more
wiley   +1 more source

Backbone‐Controlled Ion‐Side Chain Accessibility in Conjugated Polymers for Organic Electrochemical Synaptic Transistors

Advanced Functional Materials, EarlyView.
Backbone modulation in glycolated conjugated polymers governs ion accessibility to side chains, strengthes anion adsorption, and suppresses back‐diffusion. As the number of thiophene units increases, structural reorganization, retention, and synaptic plasticity are enhanced, leading to improved neuromorphic performance in electrolyte‐gated organic ...
Junho Sung, Sein Chung, Byeongjun Jeon, Donghwa Lee, Myungjin An, Jiyeong Shin, Yoohyeon Jang, Donghoo Won, Changduk Yang, Bumjoon Seo, Eunho Lee   +10 more
wiley   +1 more source

Self‐Adaptive Anhydrous Passivation Mitigates Open‐Circuit Voltage Loss in Pb‐Sn Mixed Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
In this report, a self‐adaptive anhydrous passivation strategy is introduced by incorporating trimellitic anhydride (TMAH) into the perovskite precursor. In situ hydrolysis of TMAH yields trimellitic acid (TMA); ‐C═O/‐COO− groups of TMAH/TMA form a chelate with undercoordinated Pb2+/Sn2+, regulate nucleation, promote (100) orientation, passivate ...
Md. Ataur Rahman, Md. Abdul Karim, Md. Emrul Kayesh, Siliang Cao, Shamim Ahmmed, Kiyoto Matsuishi, Ashraful Islam   +6 more
wiley   +1 more source

Long‐Range Coordination Environment Modulates Single‐Atom Local States and Systemic Impact on CO2 Photoconversion

Advanced Functional Materials, EarlyView.
Terminal groups on Cu porphyrins modulate the electronic states of single‐atom Cu centers through a long‐range electronic effect, without altering the Cu coordination geometry. Meanwhile, a multi‐descriptor framework is established that incorporates porphyrin regulation, hybrid catalyst properties, and CO2 photoreduction capabilities.
Yi Zhang, Jintao Dong, Xiahe Chen, Xiyang Wang, Tiange Wei, Yue Zhu, Tai‐Sing Wu, Yun‐Fang Yang, Shao‐Yuan Leu, Keke Wang, Yuanbin She, Huaming Li, Jiexiang Xia, Molly Meng‐Jung Li   +13 more
wiley   +1 more source

Investigation of the microscopic behavior of Mott insulators by means of the density functional theory and many-body methods

, 2012
The objective of this work is twofold. First, we explore the performance of the density functional theory (DFT) when it is applied to solids with strong electronic correlations, such as transition metal compounds.
Foyevtsova, Kateryna
core  

A Bilayered Inorganic‐Metal Interface Enables Highly Reversible Aluminum Deposition for Long‐Life Aqueous Batteries

Advanced Functional Materials, EarlyView.
A gradient M/MOx (M = Sn, Cu, Cd) synergistic interphase was constructed on Al via a one‐step displacement reaction. This interphase leverages high aluminophilicity and ion‐buffering capability to accelerate desolvation, enhance Al3+ transport, and suppress side reactions, enabling ultrastable symmetric cell operation at 0.05 mA cm−2 for 1800 h with an
Shuang Cheng, Xiaomin Cheng, Linge Li, Yaping Wang, Jing Zhang, Yongzheng Zhang, Hongzhen Lin, Jian Wang   +7 more
wiley   +1 more source

TD-DFT calculations for ECD spectroscopic study

: TD-DFT calculations for ...
Herrebout, Wouter
core  

DFT and TD-DFT calculations of fluorene bridged Triarylamine Dimers and Triarylamine-bridge- / Triarylamine-fragments

This dataset contains (TD)-DFT calculations (Gaussian 09 output files) for a series of 2,7 fluorene bridged triarylamine dimers in their mono-cationic inter valence charge transfer state as well as (TD)-DFT calculations (Gaussian 09 output files) for ...
Euringer, Leon, Holzapfel, Marco
core   +1 more source

Mechanoluminescent HOF Nanotransducers Enabled Sono‐Optogenetics in Parkinsonian Rats

Advanced Functional Materials, EarlyView.
We present a mechanoluminescent system utilizing porous hydrogen‐bonded organic frameworks (HOFs) as a toolkit for focused ultrasound‐triggered, non‐invasive light delivery to the deep brain in rats. This approach enables the specific activation of PV‐GPe neurons in dopamine‐depleted Parkinson's disease rat models, resulting in a comparable alleviation
Wenliang Wang, Ilya Pyatnitskiy, Yanshu Shi, Kai Wing Kevin Tang, Yi Xie, Sihan Yu, Thomas Wynn, Xiangping Liu, Ju‐Chun Hsieh, Jinmo Jeong, Weilong He, Brinkley Artman, Anakaren Romero Lozano, Xi Shi, Arjun Sangani, Lief E Fenno, Samantha Santacruz, Banglin Chen, Huiliang Wang   +18 more
wiley   +1 more source