Results 101 to 110 of about 22,644 (262)

Tailoring the Properties of Functional Materials With N‐Oxides

Advanced Functional Materials, EarlyView.
The properties of materials bearing N‐oxide groups are often dominated by the polar N+─O− bond. It provides hydrophilicity, selective ion‐binding, electric conductivity, or antifouling properties. Many of the underlying mechanisms have only recently been discovered, and the interest in N‐oxide materials is rapidly growing.
Timo Friedrich, Michelle Kobus, Shirin Mesgarha, Erica Moretto, Laurens Grosche, Wolfgang Maison   +5 more
wiley   +1 more source

Two‐Dimensional Materials as a Multiproperty Sensing Platform

Advanced Functional Materials, EarlyView.
Various sensing modalities enabled and/or enhanced by two‐dimensional (2D) materials are reviewed. The domains considered for sensing include: 1) optoelectronics, 2) quantum defects, 3) scanning probe microscopy, 4) nanomechanics, and 5) bio‐ and chemosensing.
Dipankar Jana, Shubhrasish Mukherjee, Dmitrii Litvinov, Magdalena Grzeszczyk, Sergey Grebenchuk, Makars Šiškins, Virgil Gavriliuc, Yihang Ouyang, Changyi Chen, Yuxuan Ye, Meng Yiming, Maciej Koperski   +11 more
wiley   +1 more source

Multi‐Ion Doping Controlled CEI Formation in Structurally‐Stable High‐Energy Monoclinic‐Phase NASICON Cathodes for Sodium‐Ion Batteries

Advanced Functional Materials, EarlyView.
The graphical abstract illustrates the synthesis pathway, morphological feature, and thermodynamic feasibility of entropy‐engineered NASICON cathodes for sodium‐ion batteries. Abstract Overcoming the energy density limitations of sodium‐ion batteries (NIBs) requires innovative strategies to optimize cathode materials.
Sharad Dnyanu Pinjari, Vignesh Mahalingam, Purandas Mudavath, Malavika Aarayil, Tasdique Arman, Ipsita Pal, Dipan Kundu, Raghavan Ranganathan, Ashok Kumar Nanjundan, Rohit Ranganathan Gaddam   +9 more
wiley   +1 more source

On the violation of a local form of the Lieb-Oxford bound

, 2012
In the framework of density-functional theory, several popular density functionals for exchange and correlation have been constructed to satisfy a local form of the Lieb-Oxford bound.
E. Engel, E. H. Lieb, E. Räsänen, J. G. Vilhena, J. Perdew, L. Lehtovaara, M. A. L. Marques, R. M. Dreizler   +7 more
core   +1 more source

High‐Entropy Perovskite Nanofibers for Bifunctional Air Electrodes in Reversible Protonic Ceramic Electrochemical Cells

Advanced Functional Materials, EarlyView.
High‐entropy perovskite nanofibers serve as robust and active bifunctional air electrodes in reversible protonic ceramic electrochemical cells. Their compositional complexity stabilizes the lattice, enriches oxygen vacancies, and accelerates surface exchange.
Hyeonggeun Kim, Incheol Jeong, Seeun Oh, Dongyeon Kim, Kang Taek Lee   +4 more
wiley   +1 more source

Computational Nutraceutics: Chemical Reactivity Properties of the Flavonoid Naringin by Means of Conceptual DFT

Journal of Chemistry, 2013
The M06 family of density functionals has been assessed for the calculation of the molecular structure and properties of the Naringin molecule. The chemical reactivity descriptors have been calculated through Conceptual DFT.
Jorge Ignacio Martínez-Araya, Guillermo Salgado-Morán, Daniel Glossman-Mitnik   +2 more
doaj   +1 more source

Unveiling Aggregation‐Induced Singlet Fission in Push–Pull Diketopyrrolopyrrole Water Dispersed Nanoaggregates and Thin Films

Advanced Functional Materials, EarlyView.
Aggregates of diketopyrrolopyrrole dipolar and quadrupolar systems exhibit panchromatic absorption spectra extending in the entire visible range. Upon aggregation in water and in the solid state, their fluorescence is almost completely quenched and their singlet excited state lifetime is significantly shortened.
Roberto Cantoni, Martina Alebardi, Eliana Maria D'Amato, Charu Popli, Yuvraj Patil, Pietro Mancini, Alessandro Di Michele, Anna Spalletti, Rajneesh Misra, Theodore Goodson, Benedetta Carlotti   +10 more
wiley   +1 more source

Electrochemical Formation of BiVO4/BiPO4 Photoanodes for Enhanced Selectivity toward H2O2 Generation

Advanced Functional Materials, EarlyView.
In acidic KPi, V dissolves from the BiVO4 lattice, while adsorbed phosphate reacts with the electrode under an external bias, forming a BiPO4 surface layer. This BiPO4 layer exhibits stronger bicarbonate adsorption, redirecting the water oxidation pathway toward two‐electron H2O2 production.
Kaijian Zhu, Xinyi Zhang, Lan Wen, Hongjiang Chen, Yudhistira Tirtayasri Amrillah, Vivi Fauzia, Hongzhen Dong, Shaoqiang Su, Wenjun Luo, Ferry Anggoro Ardy Nugroho, Patrick H.‐L. Sit, Yun Hau Ng, Fatwa F. Abdi   +12 more
wiley   +1 more source

Density-based Reactivity Theory Applied to Excited States

AAPPS Bulletin
Excited states are essential to many chemical processes in photosynthesis, solar cells, light-emitting diodes, and so on, yet how to formulate, quantify, and predict physiochemical properties for excited states from the theoretical perspective is far ...
Xiaoyan An, Wenbiao Zhang, Xin He, Meng Li, Chunying Rong, Shubin Liu   +5 more
doaj   +1 more source

Multiple Twinning in Nacre and Aragonite

Advanced Functional Materials, EarlyView.
Electron backscatter diffraction map of a cluster of geologic aragonite, exhibiting single, double, and triple twins. The whole cluster is approximately 2 cm wide. Colors indicate crystal orientations, so that pixels where the a‐, b‐, and c‐axis is perpendicular to the image plane are green, red, and blue, respectively.
Connor A. Schmidt, William O. Nachlas, Bil Schneider, Xiaoming Mao, Eric Tambutté, Alexander A. Venn, Sylvie Tambutté, Pupa U. P. A. Gilbert   +7 more
wiley   +1 more source