Results 131 to 140 of about 18,272 (254)

Functional Group Effects on the HOMO⁻LUMO Gap of g-C₃N₄.

Nanomaterials (Basel, Switzerland)
Graphitic carbon nitride (g-C₃N₄) is a promising semiconductor material which has been widely studied in nanoscience. However, the effect of modifying the performance of g-C₃N₄ is still under debate. In this communication, we show the size and functional group effects on the g-C₃N₄ using density functional theory (DFT) calculations. It was found that a
Hao, Li, Zhien, Zhang, Yulu, Liu, Wanglai, Cen, Xubiao, Luo   +4 more
openaire   +1 more source

Revealing the Ion Regulation Effect of Zwitterionic All‐Solid‐State Electrolytes in Lithium Metal Batteries

Advanced Science, EarlyView.
This study investigates zwitterionic all‐solid‐state electrolytes, demonstrating strong carboxyl‐Li+ interaction that forms “ion‐enrichment pathway”‐like domains and manipulates Li+ deposition. Additionally, surface‐enriched zwitterions generate a dual‐layer SEI with an inner Li2O‐rich and outer LiF‐rich structure. Through ionic flux regulation and SEI
Wentao Xie, Yu Wu, Yierfan, Yuling Yang, Dongdong Gao, Liangbo Xu, Luoman Qin, Xingyu Lu, Yinjuan Chen, Changle Mu, Danyu Gu, Chunlei Wei, Yi He, Gang Cheng   +13 more
wiley   +1 more source

Strain‐Adaptive Dielectric Metamaterials via Bioinspired “Ligament‐Bone” Architecture for Ultrahigh‐Energy Capacitive Storage

Advanced Science, EarlyView.
A bioinspired strain‐adaptive ligament‐bone architecture achieves record‐high energy density of 26.1 J cm−3 and 90% efficiency at 600 MV m−1, coupled with a Young's modulus of 2.13 GPa. ABSTRACT Polymer dielectrics for capacitive energy storage face fundamental trade‐offs between breakdown strength, energy density, efficiency, and mechanical robustness.
Jian Wang, Xinyu Wang, Jiabao Wang, Biyun Peng, Yifei Zhang, Ning Zhu, Xin Hu   +6 more
wiley   +1 more source

Nano‐Confined Radical Anion as An NIR‐II Photothermal Immunogenic Amplifier for In Situ Cancer Vaccination

Advanced Science, EarlyView.
A nano‐confined radical anion acts as a photothermal immunogenic amplifier. Kinetically stabilized nanoparticles couple high near‐infrared‐II (NIR‐II) photothermal efficacy with glutathione (GSH) depletion to boost reactive oxygen species (ROS) and immunogenic cell death (ICD).
Mengxin Mu, Mengyu Guo, Jun Guan, Xiaofeng He, Mingdi Hu, Fene Gao, Klaus Müllen, Chendong Ji, Chunying Chen, Meizhen Yin   +9 more
wiley   +1 more source

Ultra‐Radiostable Covalent Conformationally Interlocked Networks Enabling a Universal Radiometal‐Labeling Platform for Cancer Radioembolization

Advanced Science, EarlyView.
Conjugated poly(imide dioxime)‐based microspheres establish a radiometal coordination‐driven conformational interlocked network with ultra‐high radiostability. This platform enables low‐temperature, multi‐radionuclide labeling for SPECT/PET/MRI imaging and radionuclide therapy. Mechanistic insights from EXAFS and DFT reveal enhanced stability, while in
Xiao Xu, Zhenwen Zhao, Yangjie Wang, Zhigang Liu, Zhijie Liu, Xiaoling Li, Zhichen Mao, Lu Xu, Gan Lin, Gang Liu, Hongjuan Ma   +10 more
wiley   +1 more source

Thermally Driven Supramolecular Chirality Evolution in Low‐Bandgap Fused‐Ring Conjugated Molecules for High‐Performance NIR Circularly Polarized Light Detection

Advanced Science, EarlyView.
A supramolecular chirality evolution strategy in chiral low‐bandgap fused‐ring conjugated molecules enables high‐performance near‐infrared (NIR) circularly polarized light photodetection. Halogen substitution and thermal annealing induce chiral amplification and hierarchical ordering. Integrated into Schottky barrier vertical transistors, the optimized
Jaeyong Ahn, Kwangmin Kim, Sangwook Lee, Seul Lee, SungHyun Hur, BongSoo Kim, Joon Hak Oh   +6 more
wiley   +1 more source

Electric Field Effects on the Optoelectronic Properties of Fluorinated Heptyl-Bicyclohexyl-Biphenyl: A TD-DFT Investigation. [PDF]

ACS Omega
Trabelsi J, Esboui M.
europepmc   +1 more source

Oxygen Vacancy‐Mediated Bi─O Unsaturation Coordination in BiOCl for Efficient Photocatalytic Water Purification

Advanced Science, EarlyView.
The incorporation of oxygen vacancies (OVs) presents a viable strategy for fine‐tuning the photocatalytic prowess of BiOCl. A reliable hydrogen annealing reduction technique is employed to precisely design OVs, thereby optimizing the light absorption capacity, as well as the efficiency of carrier migration and separation in BiOCl.
Shuaihao Ma, Jianglong Kong, Shidong Zhang, Wentao Li, Ling Yan, Deng Long, Xinglin Yu, Dawei Wang, Zheng Han, Sihan Ma, Lin Wang, Guang Ran   +11 more
wiley   +1 more source

Electronic transport in radial π-conjugated macrocyclic molecules: a density functional theory study. [PDF]

RSC Adv
Govindarajan S, Ramya K, Ravva MK, Mukhopadhyay S.   +3 more
europepmc   +1 more source

Molecularly Engineered Wing‐Shaped Azobenzene Memristors for Logic‐in‐Memory and Edge Visual Intelligence

Advanced Science, EarlyView.
Rational engineering of terminal substituents in symmetric azobenzene‐based molecules enables precise control over conformationally coupled charge‐transfer processes. This design yields tunable nonvolatile resistive memory behaviors, ranging from write‐once‐read‐many‐times (WORM) to rewritable switching.
Yanze Liu, Tao Han, Jiahui Ding, Hong Lian, Lingling Yao, Zhaoxin Xu, Xingyu Zhang, Shuanglong Wang, Jiangnan Xia, Tianchi Zhang, Weiwei Kang, Qingchen Dong   +11 more
wiley   +1 more source