Results 81 to 90 of about 8,649 (251)

Template‐Confined Synthesis of Shape‐Engineered Single‐Crystal Gold Microplates in Lithographically‐Defined Polymeric Patterns

Advanced Functional Materials, EarlyView.
Single‐crystal gold microplates are high‐performance nanomaterials with an impressive wafer‐based application space. Progress has, however, been tempered by an inability to exert synthetic control over microplate size, shape, and positioning. In this work, control over these parameters is demonstrated using a seed‐mediated synthesis that both confines ...
Debasish Panda, Md Rashed Nizam, Walker J. Tuff, Collin C. Wyant, Maksym Zhukovskyi, Matthew R. Rosenberger, Botond Sánta, Edward C. Kinzel, Robert A. Hughes, Svetlana Neretina   +9 more
wiley   +1 more source

DFT STUDY ON THE MECHANISTIC, ENERGETIC AND STRUCTURAL ASPECTS OF ADSORPTION OF TIRAPAZAMINE ONTO PRISTINE AND FUNCTIONALIZED CARBON NANOTUBES

Química Nova
Using density functional theory, noncovalent interactions and two mechanisms of covalent functionalization of drug tirapazamine with pristine, COOH and COCl functionalized carbon nanotube (NT, NTCOOH and NTCOCl) have been investigated.
Sadaf Avarand, Ali Morsali, Mohammad M. Heravi, S. Ali Beyramabadi   +3 more
doaj   +1 more source

Designed Lewis Acid–Base Passivation for High Performance Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
ABSTRACT Silicon's high cost and long energy payback time remain major barriers to the global expansion of solar power. In contrast, metal–halide perovskites offer abundant, solution‐processable absorbers, and have achieved efficiencies of 25%–30%, positioning them as strong competitors to silicon.
Afna Manaf, Hiba Shahulhameed, Bhabani Sankar Swain, Shengzhong (Frank) Liu, Adel Najar   +4 more
wiley   +1 more source

Solvatochromic and Computational Study of Some Cycloimmonium Ylids

Liquids
This article contains a comparative spectral analysis corroborated with the quantum mechanical computations of four cycloimmonium ylids. The spectral shift of the visible electronic absorption band of the studied molecules in 20 solvents with different ...
Daniela Babusca, Andrei Vleoanga, Dana Ortansa Dorohoi   +2 more
doaj   +1 more source

Chiral Phase Change Nanomaterials

Advanced Functional Materials, EarlyView.
This work demonstrates reversible, non‐volatile phase transitions in chiral Ge2${\rm Ge}_2$Sb2${\rm Sb}_2$Te5${\rm Te}_5$ (GST) nanohelices for high‐speed optical modulation of chirality and dynamic control of the state of polarization (SOP). The chiral nanostructures are fabricated using a highly directional, wafer‐scale physical vapor deposition ...
Joshua A. Burrow, Md Shah Alam, Riad Yahiaoui, Evan M. Smith, Ryan Laing, Jules Gardener, Thomas A. Searles, Piyush J. Shah, Shivashankar Vangala, Joshua R. Hendrickson, Andrew M. Sarangan, Imad Agha   +11 more
wiley   +1 more source

Unraveling MXene Oxidation Mechanisms Under Realistic Gas Environments by In Situ Gas‐Cell TEM

Advanced Functional Materials, EarlyView.
Real‐time visualization of MXene degradation reveals a fundamental oxidation mechanism under oxygen and moisture environments. Using in situ gas‐cell electron microscopy, this study demonstrates that oxygen degradation drives a thermodynamically controlled high‐temperature transformation into mixed rutile/anatase phases.
Yongfa Cheng, Kunmo Koo, Zizhen Cai, Paty Meza, Yu Wen, Byungseok Seo, Yukun Liu, Xiaobing Hu, Vinayak P. Dravid   +8 more
wiley   +1 more source

Dispersion, Polar, and Hydrogen-Bonding Contributions to Solvation Free Energies

Liquids
A new method is presented for the estimation of contributions to solvation free energy from dispersion, polar, and hydrogen-bonding (HB) intermolecular interactions.
William E. Acree, Costas Panayiotou
doaj   +1 more source

Magnetic‐Field Control of Surface States in CoFe2O4 Thin Films for Nitrate Electroreduction to Ammonia

Advanced Functional Materials, EarlyView.
Magnetic‐field‐assisted CVD of heterometallic single‐source precursors modulates thin‐film surface electronic structure and interfacial charge transfer. Field‐grown (Cobalt ferrite‐1T)CF‐1T films exhibit stabilized electronic states, lower kinetic barriers, and markedly enhanced nitrate‐to‐ammonia electrocatalysis versus (Cobalt ferrite‐0T) CF‐0T ...
Touraj Karimpour, Younes Mousazade, Simon Diel, Shilendra Kumar Sharma, Tisita Das, Nathália C. Verissimo, Thomas Fischer, Ziyaad Aytuna, Andreas Lichtenberg, Sudip Chakraborty, Marcel Risch, Sanjay Mathur   +11 more
wiley   +1 more source

CalVSP: a program for analyzing the molecular surface areas, volumes, and polar surface areas

Journal of Cheminformatics
The molecular volume, surface area, and polar molecular surface area are important descriptors for characterizing and predicting the molecular properties of lead compounds.
Yuzhu Li, Daiju Yang, Qingyi Shi, Weidong Zhang, Qingyan Sun   +4 more
doaj   +1 more source

Ultrasmall High‐Entropy Materials: Nanoscale Effects, Synthesis, and Mechanistic Insights

Advanced Functional Materials, EarlyView.
This review article focuses on sub‐10 nm high‐entropy materials that combine nanoscale design with complex compositions for next‐generation applications. ABSTRACT Ultrasmall high‐entropy nanomaterials (USHENMs, <10 nm) merge multicomponent chemistry with size‐dependent effects, forming a distinct class of materials with unprecedented properties.
Yueyue He, Wenbo Wang, Simon Schweidler, Yanjiao Ma, Ben Breitung, Torsten Brezesinski   +5 more
wiley   +1 more source