Results 111 to 120 of about 258,611 (317)

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

Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study

Beilstein Journal of Nanotechnology
High mechanical strength, excellent thermal and electrical conductivity, and tunable properties make two-dimensional (2D) materials attractive for various applications.
Kamal Kumar, Nora H. de Leeuw, Jost Adam, Abhishek Kumar Mishra   +3 more
doaj   +1 more source

Pyrazoline derivatives as possible corrosion inhibitors for mild steel in acidic media: A combined experimental and theoretical approach

Cogent Engineering, 2018
Various experimental and theoretical methods have been employed to study the effectiveness of two pyrazoline derivatives namely, 2-(4-(5-(p-tolyl)-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid (P1) and 2-(4-(5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3 ...
Hassane Lgaz, Rachid Salghi, Abdelkarim Chaouiki, Shubhalaxmi, Shehdeh Jodeh, K. Subrahmanya Bhat   +5 more
doaj   +1 more source

DFT-PCM studies of the solvent effects on the absorption properties of DCM

, 2009
In this paper, we have performed the optimized structures of the red emitting material, 4-(dicyanomethylene)-2-methyl-6-[p-(dimethyl amino) styryl]-4H-pyran (DCM), with different polarity solvent environments by using the density functional theory (DFT ...
王伯昌; Wang, Bo-cheng
core   +1 more source

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

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

Designed Lewis Acid–Base Passivation for High Performance Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
ABSTRACT Silicon's high cost and long energy payback time remain major barriers to the global expansion of solar power. In contrast, metal–halide perovskites offer abundant, solution‐processable absorbers, and have achieved efficiencies of 25%–30%, positioning them as strong competitors to silicon.
Afna Manaf, Hiba Shahulhameed, Bhabani Sankar Swain, Shengzhong (Frank) Liu, Adel Najar   +4 more
wiley   +1 more source

Extracting Knowledge from DFT: Experimental Band Gap Predictions Through Ensemble Learning

, 2018
The field of materials science has seen an explosion in the amount of accessible high quality data. With this sudden surge of data, the application of machine learning (ML) onto materials data has led to great results.
Steven Kauwe (5879180), Taylor, Welker, Steven, Kauwe, Taylor Sparks (5879243), Taylor, Sparks, Taylor Welker (5879290)   +5 more
core   +1 more source

Unraveling MXene Oxidation Mechanisms Under Realistic Gas Environments by In Situ Gas‐Cell TEM

Advanced Functional Materials, EarlyView.
Real‐time visualization of MXene degradation reveals a fundamental oxidation mechanism under oxygen and moisture environments. Using in situ gas‐cell electron microscopy, this study demonstrates that oxygen degradation drives a thermodynamically controlled high‐temperature transformation into mixed rutile/anatase phases.
Yongfa Cheng, Kunmo Koo, Zizhen Cai, Paty Meza, Yu Wen, Byungseok Seo, Yukun Liu, Xiaobing Hu, Vinayak P. Dravid   +8 more
wiley   +1 more source

Magnetic‐Field Control of Surface States in CoFe2O4 Thin Films for Nitrate Electroreduction to Ammonia

Advanced Functional Materials, EarlyView.
Magnetic‐field‐assisted CVD of heterometallic single‐source precursors modulates thin‐film surface electronic structure and interfacial charge transfer. Field‐grown (Cobalt ferrite‐1T)CF‐1T films exhibit stabilized electronic states, lower kinetic barriers, and markedly enhanced nitrate‐to‐ammonia electrocatalysis versus (Cobalt ferrite‐0T) CF‐0T ...
Touraj Karimpour, Younes Mousazade, Simon Diel, Shilendra Kumar Sharma, Tisita Das, Nathália C. Verissimo, Thomas Fischer, Ziyaad Aytuna, Andreas Lichtenberg, Sudip Chakraborty, Marcel Risch, Sanjay Mathur   +11 more
wiley   +1 more source