Results 61 to 70 of about 4,981 (238)

Programming Neuromorphic Plasticity Through Ionic and Electronic Coupling in Organic Electrochemical Transistors

Advanced Functional Materials, EarlyView.
Neuromorphic plasticity in OECTs is governed by the post‐stimulus evolution of coupled ionic and electronic states. Semiconductor chemistry and morphology, electrolyte composition and interfaces, and device architecture regulate ion injection, transport, confinement, and release, shifting responses from rapidly relaxing STP to metastable memory and ...
Inho Lee, Hyoik Jang, Ji Hwan Kim, Jonghyun Won, Namhee Kim, Wonseok Shin, Giwon Lee, Eunho Lee, Daegun Kim, Sungjun Park   +9 more
wiley   +1 more source

A ΔSCF-DFT Donor–Acceptor Descriptor Map for Main-Group Atoms: Validation, Basis-Set Sensitivity, and Diagnostic Anionic States

Atoms
Ionization potentials and electron affinities provide the energetic basis for several conceptual density functional theory descriptors, but their use in donor–acceptor maps requires careful distinction between physically bound anions, weak or borderline ...
Kayim Pineda-Urbina
doaj   +1 more source

Molecular Bridges for 2D Nanomaterials

Advanced Functional Materials, EarlyView.
Molecular cross‐linking provides a versatile strategy to engineer interfaces in 2D materials. By tuning the linker backbone, binding mode, and interflake spacing, molecular bridges can regulate charge transport, mechanical integrity, chemical functionality, and processing.
Yudhajit Bhattacharjee, Kevin Synnatschke, Andreas Fery, Hendrik Schlicke   +3 more
wiley   +1 more source

Selenium‐Integrated Cyanine Dye With Enhanced Photophysical Properties for Optoacoustic‐Guided Cancer Imaging and Therapy

Advanced Functional Materials, EarlyView.
This study introduces selenium‐integrated cyanine dye (Se‐Cyn), with superior photostability, absorption, and photothermal efficiency, outperforming ICG in NIR window. Its nanoparticle form remains stable in water, accumulates in tumors, and enables strong optoacoustic imaging and effective phototherapy outcomes.
Divyesh Shelar, Snehal Salunkhe, Tony Fröhlich, Uwe Klemm, Pia Anzenhofer, Birgit Rathkolb, Martin Hrabě de Angelis, Oliver Plettenburg, Michael Sattler, Sudesh T. Manjare, Vipul Gujrati, Vasilis Ntziachristos   +11 more
wiley   +1 more source

Modulation of Surface‐Associated Transport in (Bi1‐xSbx)2Te3 via Battery‐ Inspired Solid‐State Iontronic Gating

Advanced Functional Materials, EarlyView.
Iontronic gating in a battery‐inspired device modulates the relative weight of surface‐associated and bulk‐like transport fingerprints in (Bi1‐xSbx)2Te3, resulting in phenomenological valve‐like transport behavior. The strongest WAL‐associated coherent transport signatures emerge near the transport‐defined carrier compensation regime at ultra‐low gate ...
Gabriel Vinicius de Oliveira Silva, Reza Asadi, He Ren, Rabiul Islam, Jagadeesh Moodera, Guo‐Xing Miao   +5 more
wiley   +1 more source

Heteroengineering‐Induced Electronic Reconstruction for Ammonium‐Ion Energy Storage

Advanced Functional Materials, EarlyView.
An integrated electronic reconstruction behavior is induced by local heteroengineering on VO2(B) electrode material surface of NH4+ supercapacitor, rationally modulating the electronic structure, enabling enhanced intrinsic conductivity and extra driving force for NH4+ intercalation reaction.
Ji‐Chi Liu, Nuo Xu, Liberty L. Mguni, Kexin Wang, Lanxiang Ma, Ying Sun, Hui Li, Lingfeng Zhu, Yali Yao, Xu Han, Zi‐Hang Huang, Tianyi Ma   +11 more
wiley   +1 more source

DFT-Based Evaluation of the Drug Dibazol as a Promising Molecular Scaffold Considering Charge State and Solvation Effects

Eurasian Chemico-Technological Journal
Despite considerable research devoted to the synthesis and biological activity of benzimidazole derivatives, their reactivity as molecular systems remains poorly understood. In particular, for dibazol, one of the best-known representatives of this class,
Alexey Surnin, Assel Ten, Valentina Yu
doaj   +1 more source

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

Molecules, 2016
Theoretical reactivity indices based on the conceptual Density Functional Theory (DFT) have become a powerful tool for the semiquantitative study of organic reactivity. A large number of reactivity indices have been proposed in the literature.
Luis R. Domingo, Mar Ríos-Gutiérrez, Patricia Pérez   +2 more
doaj   +1 more source

Atom‐Efficient Cerium‐Based Molecular Cages as Biocompatible Reactive Oxygen Scavengers

Advanced Healthcare Materials, EarlyView.
Discrete mixed‐valent cerium molecular cages organize accessible redox centers within confined coordination environments and scavenge superoxide, hydrogen peroxide, and hydroxyl radicals. Encapsulation of the lead cage in an ROS‐responsive DTP nanoplatform enables lesion‐associated delivery, attenuates macrophage oxidative stress and inflammation, and ...
Chao Li, Chunbai Xiang, Ye Xu, Yu Liu, Keze Hong, Fanchu Zeng, Gelin Xu, Zhao‐Xi Wang, Jonathan L. Sessler, Ping Gong   +9 more
wiley   +1 more source

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

Advanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu, Hsi‐wen Wu, Xiao Wang, Jie Zhang   +3 more
wiley   +1 more source