Results 321 to 330 of about 655,640 (396)

Flexible Optical Fiber Stress/Temperature Dual‐Mode Sensing Based on CaZnOS:Nd,Er

Advanced Functional Materials, EarlyView.
Temperature and stress sensing based on flexible optical fibers may be the key to future artificial intelligence's perception of the world, here an optical fiber sensor capable of realizing such dual mode sensing is preliminary confirmed based on CaZnOS:Nd3+,Er3+.
Pan Zheng, Yao Xiao, Puxian Xiong, Sijie Su, Anping Yang, Xuesong Wang, Shengbin Xu, Peishan Shao, Zhiyao Zhou, Sheng Wu, Enhai Song, Jiulin Gan, Dongdan Chen   +12 more
wiley   +1 more source

Formation mechanism of the (2 × 1) reconstruction of calcite (104). [PDF]

Sci Rep
Zhou H, Chen Y, Ding M, Zhong X.
europepmc   +1 more source

It Matters Where the Heavy Atom Is Placed: Optimizing the Spin–Orbital Coupling in Multiresonant TADF (MR‐TADF) Emitters and Its Impact on OLED Performance

Advanced Functional Materials, EarlyView.
The TOC showcases the chemical structure of the emitter tCzBT2B as an “MVP athlete” in a stadium surrounded by. spotlights and cheering fans celebrating its impressive performance in organic light‐emitting diodes (OLEDs). The stats for this emitter and its device are detailed below.
Dongyang Chen, Hui Wang, Feng Huang, David B. Cordes, Aidan P. McKay, Kai Wang, Xiao‐Hong Zhang, Eli Zysman‐Colman   +7 more
wiley   +1 more source

Minimum Energy Conical Intersection Optimization Using DFT/MRCI(2). [PDF]

J Chem Theory Comput
Wang TY, Neville SP, Schuurman MS.
europepmc   +1 more source

Defects in Inorganic Mechanoluminescent Phosphors: Insights and Impacts

Advanced Functional Materials, EarlyView.
Mechanoluminescence is attracting more attention recently, and defect dominates mechanoluminescence performances. Investigating how defects work in the mechanoluminescence process is crucial for elucidating its complex luminescence mechanism. This review aims to emphasize the fundamental role of defects in mechanoluminescence, which offers an ...
Wenhao Li, Sheng Wu, Jing Ren, Puxian Xiong   +3 more
wiley   +1 more source

Computable properties of selected monomeric acylphloroglucinols with anticancer and/or antimalarial activities and first-approximation docking study. [PDF]

J Mol Model
Tshilande N, Mammino L.
europepmc   +1 more source

Accelerated Kinetics of Desolvation and Redox Transformation Enabled by MOF Sieving for High‐Loading Mg‐S Battery

Advanced Functional Materials, EarlyView.
A strategy of sieving catalysis based on the MIL‐101(Cr) with multistage pore structure and Lewis acid sites has been proposed as the catalyst to accelerate the kinetics of desolvation and redox conversion of sulfur species, achieving high performance Mg‐S batteries.
Qinghua Guan, Quan Zhuang, Wenlong Xu, Yongzheng Zhang, Shuang Cheng, Jing Zhang, Meinan Liu, Hongzhen Lin, Jian Wang   +8 more
wiley   +1 more source

Does Kirchhoff's Law Work in Molecular-Scale Structures? [PDF]

ACS Omega
Alshehab A, Ismael AK.
europepmc   +1 more source

The conductance of molecular wires and DFT based transport calculations

, 2003
Ferdinand Evers, Florian Weigend, Max Koentopp   +2 more
openalex   +2 more sources

Accelerated Discovery of High‐Performance PCFC Cathodes: Computational‐Experimental Optimization of Cobalt‐Substituted Ba0.95La0.05FeO3‐δ

Advanced Functional Materials, EarlyView.
An integrated computational–experimental strategy accelerates the discovery of high‐performance PCFC cathodes. Computational screening using machine learning interatomic potentials and targeted experiments identifies optimal cobalt substitution in Ba0.95La0.05FeO3‐δ, reducing area‐specific resistance by 58% at 500 °C.
Abdullah Tahir, Yuhao Wang, Jingwei Li, Yunfeng Tian, Francesco Ciucci   +4 more
wiley   +1 more source