Results 151 to 160 of about 321,840 (265)

Programmable 2D Magnetic Clusterphenes With High Curie Temperature and Strong Magnetic Anisotropy via Cluster Assembly and Ligand Synergy

Advanced Functional Materials, EarlyView.
Programmable 2D magnetic clusterphenes are realized through a ligand‐mediated cluster‐assembly strategy. Direct linking of magnetic superatomic clusters enhances electron delocalization and symmetry breaking, enabling the concurrent strengthening of magnetic exchange interactions and spin–orbit coupling.
Junxiang Fu, Zhuohang Fang, Haidi Wang, Ye Yang, Weiduo Zhu, Weiwei Chen, Yu Zhang, Haixiao Xiao, Zhao Chen, Hongyan Lv, Xiaofeng Liu, Xiangyang Li, Xiao Cheng Zeng, Zhongjun Li   +13 more
wiley   +1 more source

High Stability, Piezoelectric Response, and Promising Photocatalytic Activity on the New Pentagonal CGeP4 Monolayer

ACS Physical Chemistry Au
José A. S. Laranjeira, Nicolas Martins, Pablo A. Denis, Julio Sambrano   +3 more
doaj   +1 more source

Molecular Simulation of Hydrogen Systems: From Properties and Methods to Applications and Future Directions. [PDF]

Chem Rev
Rahbari A, Chakrapani TH, Shuang F, Krokidas P, Habibi P, Lagerweij VJ, Ramdin M, Vlugt TJH, Hajibeygi H, Dey P, Tsimpanogiannis IN, Moultos OA.   +11 more
europepmc   +1 more source

Extraordinary n‐type Tellurium‐Free Thermoelectric Performance of Y‐Doped BiSe via Synergistic Effect of Vacancies and Band Engineering

Advanced Functional Materials, EarlyView.
Yttrium doping in Sb‐alloyed BiSe synergistically induces Bi vacancies and flattens conduction bands, simultaneously slashing lattice thermal conductivity by 50% and boosting the power factor. The optimized n‐type Bi0.64Sb0.3Y0.06Se delivers a peak zT of 0.91 at 393 K (average zT 0.76, 300–523 K) and an 8‐pair module with 4.6% conversion efficiency ...
Wenhao Xie, Fang Lyu, Xiaolong Sun, Chang Li, Xiaolu Zhu, Liangwei Hu, Qianfeng Ding, Wenjie Zhou, Muyang Huang, Yineng Gou, Yi Zhao, Han Tang, Wei Cao, Yue Hou, Yun Zheng, Ady Suwardi, Ziyu Wang   +16 more
wiley   +1 more source

Molecular simulation-based 3D structural construction of olfactory receptor with agonist binding. [PDF]

J Comput Aided Mol Des
Hirao T, Ihara Y, Ijichi C, Kudo G, Yoshino R, Hirokawa T.   +5 more
europepmc   +1 more source

Hierarchical Primary‐Secondary Coordination Synchronizes Ion Flux and Sulfur Redox in Solid Polymer Electrolytes

Advanced Functional Materials, EarlyView.
Hierarchical coordination engineering redistributes Li+ from anion‐dominated pairing toward polymer‐mediated binding. Strong primary sites promote salt dissociation, while distributed secondary sites sustain dynamic hopping pathways. This coordination landscape couples ion flux with polysulfide conversion, suppresses transport‐conversion decoupling ...
Zhong‐Wei Zheng, Jing‐Yu Li, Meng‐Che Tsai, Tsung‐I. Yeh, Wei‐Ming Huang, Mohamed Gamal Mohamed, Shiao‐Wei Kuo, Bing‐Joe Hwang, Yun‐Sheng Ye   +8 more
wiley   +1 more source

Unveiling a New 2D Semiconductor: Biphenylene-Based InN

ACS Omega
José A. S. Laranjeira, Nicolas Martins, Pablo A. Denis, Julio Sambrano   +3 more
doaj   +1 more source

Deciphering the molecular network of Trichostatin A in regulating Alzheimer's disease screening of core genes and mechanistic investigation based on multidimensional bioinformatics and molecular simulation. [PDF]

PLoS One
Ou C, Chen B, Deng J, Long H.
europepmc   +1 more source

Mechanistic Control of C─H Bond Activation and C─C Coupling in Light‐Driven Methane Conversion to C2+ Products over Multifunctional Photocatalysts

Advanced Functional Materials, EarlyView.
Methane photocatalytic activation under mild conditions remains a formidable challenge in the synthesis of solar fuels. In this review, we emphasize the growing importance of multifunctional materials and hybrid systems within a unified mechanistic framework that integrates selective C─H bond activation, formation and control of intermediates, C─C ...
Di Hu, Yuheng Jiang, Vitaly V. Ordomsky, Bastian Mei, Zhiyong Tang, Andrei Y. Khodakov   +5 more
wiley   +1 more source

Network pharmacology and molecular simulation reveal the entourage effect mechanisms of psilocybin-producing mushrooms on the brain. [PDF]

Sci Rep
Murray Z, Lewies A, Wentzel JF, Schutte-Smith M, Erasmus E, Noreljaleel A, Visser H, Wilhelm A, Issahaku AR.   +8 more
europepmc   +1 more source