Results 161 to 170 of about 291,774 (264)

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

Transfer Learning Meets Embedded Correlated Wavefunction Theory for Chemically Accurate Molecular Simulations: Application to Calcium Carbonate Ion Pairing. [PDF]

J Chem Theory Comput
Bian X, Carter EA.
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

Chloride Binding in Trimeric Coiled Coils: Free Energy and Structural Determinants from Molecular Simulations. [PDF]

J Chem Inf Model
Nifosì R, Bellucci L.
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

Accelerated aptamer selection <i>via</i> SELEX and molecular simulations for lipopolysaccharide detection. [PDF]

RSC Adv
Thi Tran TD, Nguyen HL, Ngoc Hoa PT, Pham TT, Thanh Huyen NT, Huong GD, Hoang HT, Wagner P, Charrier A, Lien TTN, Nguyen PH, Toan NT.   +11 more
europepmc   +1 more source

Bio‐Inspired Biopolymeric Implantable Platform for Localized and Sustained Drug Delivery in Solid Tumor Treatment

Advanced Functional Materials, EarlyView.
A bio‐inspired biopolymeric implantable drug delivery platform enables localized and sustained release of 7‐ethyl‐10‐hydroxycamptothecin (SN‐38) in solid tumor treatment. The three‐dimensional (3D) structured crosslinked‐chitosan implants are fabricated via 3D‐printed molds and provide drug release over 3 months, significantly inhibiting tumor growth ...
Mercedes Lozano‐Garcia, Constantine Vogiatzis, Alejandra Planells‐Devesa, Emre Dikici, Caroline Vieira Maluf, Vasudev Vivekanand Nayak, Paulo G. Coelho, Lukasz Witek, Alicia Bilbao, Daniel Bilbao, Prasoon Mohan, Sapna Deo, Sylvia Daunert   +12 more
wiley   +1 more source

Dissecting the RAD51-BRC4 Interaction Landscape through Integrative Molecular Simulations and Experimental Biophysics. [PDF]

J Chem Inf Model
Bresciani V, Rinaldi F, Franco P, Girotto S, Cavalli A, Langer JD, Masetti M, Bernetti M.   +7 more
europepmc   +1 more source

Bio‐Derived Polyelectrolyte Additive–Induced Interfacial Ion‐Diffusion Barriers for Nonvolatile Organic Artificial Synapses

Advanced Functional Materials, EarlyView.
Sodium alginate regulates interfacial ion transport and retention in electrolyte‐gated synaptic transistors. The carboxylate‐rich polymeric network forms a dynamic interfacial ion‐diffusion barrier that facilitates ion injection during programming while suppressing ion back‐diffusion, thereby stabilizing the electrochemically doped channel state.
Chaeyeon Han, Donghwa Lee, Hyeonse Kim, Hyoik Jang, Sein Chung, Geun Yeol Bae, Eunho Lee   +6 more
wiley   +1 more source

Polarization Sensitivity of Chiral Manganese Halide Scintillators Enables High‐Resolution X‐Ray Imaging

Advanced Functional Materials, EarlyView.
Highly luminescent chiral manganese halide crystals are synthesized using chiral ligands, and they exhibit dissymmetry factors up to 1.4 × 10−2 and show X‐ray detection scintillation capability with a light yield of 43 380 photons/MeV and a low detection limit of 0.05198 µGyair·s−1.
Yue Han, Jun'an Lai, Peng He, Wenxia Zhang, Xirong Ke, Shengsi Liu, Kang An, Xiao‐Fang Jiang, Lakshminarayana Polavarapu, Xiaosheng Tang   +9 more
wiley   +1 more source