Results 81 to 90 of about 4,644,920 (368)

Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit

, 2009
A number of new functionalities have been added to the Alloy Theoretic Automated Toolkit (ATAT) since it was last reviewed in this journal in 2002. ATAT can now handle multicomponent multisublattice alloy systems, nonconfigurational sources of entropy (e.
Abrikosov, Arroyave, Asta, Axel van de Walle, Baroni, Benedek, Benedek, Burton, Burton, Ceder, Ceder, deFontaine, deGironcoli, Ducastelle, Gale, Gale, Garbulsky, Ghosh, Ghosh, Giannozzi, Gonze, Gonze, Gonze, Gonze, Gonze, Kresse, Kresse, Liu, Morgan, Ohnuma, Powell, Sanchez, Shin, Shin, Tepesch, van de Walle, van de Walle, van de Walle, van de Walle, van de Walle, van de Walle, van de Walle, van de Walle, Wei, Wolverton, Wu, Zunger, Zunger, Zunger   +48 more
core   +2 more sources

Rigorous Multicomponent Reactive Separations Modelling : Complete Consideration of Reaction-Diffusion Phenomena [PDF]

, 2010
This paper gives the first step of the development of a rigorous multicomponent reactive separation model. Such a model is highly essential to further the optimization of acid gases removal plants (CO2 capture, gas treating, etc.) in terms of size and ...
A. Ahmadi, Agreda, Barbosa, Barbosa, Chakravaty, D. Rouzineau, Danckwerts, DeCoursey, Doherty, Doherty, Doherty, Dudukovic, Gear, Gorak, Gorak, Gorak, Higbie, Hikita, M. Meyer, M. Prevost, N. Laloue, P. Alix, Pagani, Smith, Taylor, Toor, Valerio, Versteeg, Versteeg, Vignes, Wesselingh   +30 more
core   +4 more sources

Charge Transport in Ternary Charge‐Transfer Solid Solution Single Crystals

Advanced Functional Materials, EarlyView.
This study deconvolutes the roles of indirect (superexchange) and direct electronic coupling on charge transport in single crystals of an organic charge‐transfer molecular semiconductor (OSC). This model system elegantly demonstrates that structural defects introduced by chemical dopants play a significant role in the electronic performance ...
Jonathan C. Novak, Manikanta Makala, Edith L. MacKenzie, Veaceslav Coropceanu, Kimberly Agosto, Abigail A. Moravek, Oana D. Jurchescu, Ren A. Wiscons   +7 more
wiley   +1 more source

Tandem Catalysis of an Aldol-‘Click’ Reaction System within a Molecular Hydrogel

Molecules, 2016
A heterogeneous supramolecular catalytic system for multicomponent aldol-‘click’ reactions is reported. The copper(I) metallohydrogel functionalized with a phenyltriazole fragment was able to catalyze the multicomponent reaction between phenylacetylene ...
Marco Araújo, Iván Muñoz Capdevila, Santiago Díaz-Oltra, Beatriu Escuder   +3 more
doaj   +1 more source

Block Copolymers: Emerging Building Blocks for Additive Manufacturing

Advanced Functional Materials, EarlyView.
This review addresses how block copolymer (BCP) physics and rheology have led to the widespread use of BCPs in advanced additive manufacturing techniques, with particular emphasis on the untapped potential of these nanostructured materials toward achieving multi‐scale architected materials with unique, programmable material properties.
Alice S. Fergerson, Hemish B. Thakkar, Jiaen Wu, Emily C. Davidson   +3 more
wiley   +1 more source

A practical two-step procedure for the preparation of enantiopure pyridines: Multicomponent reactions of alkoxyallenes, nitriles and carboxylic acids followed by a cyclocondensation reaction

Beilstein Journal of Organic Chemistry, 2011
A practical approach to highly functionalized 4-hydroxypyridine derivatives with stereogenic side chains in the 2- and 6-positions is described. The presented two-step process utilizes a multicomponent reaction of alkoxyallenes, nitriles and carboxylic ...
Christian Eidamshaus, Roopender Kumar, Mrinal K. Bera, Hans-Ulrich Reissig   +3 more
doaj   +1 more source

Multicomponent bionanocomposites based on clay nanoarchitectures for electrochemical devices [PDF]

, 2019
Based on the unique ability of defibrillated sepiolite (SEP) to form stable and homogeneous colloidal dispersions of diverse types of nanoparticles in aqueous media under ultrasonication, multicomponent conductive nanoarchitectured materials integrating ...
Aranda P., Dico G. L., Lazzara G., Lisuzzo L., Ruiz-Hitzky E., Wicklein B.   +5 more
core   +1 more source

Organometallic Precursor‐Induced Gradient Architecture on Multilayer Nanoporous Graphene Membranes for Precise Organic Solvent Nanofiltration

Advanced Functional Materials, EarlyView.
Alumina growth narrows surface pores and seals non‐selective defects, enhancing selectivity while preserving the nanoporous graphene architecture. Additionally, the deposition enables gradient‐controlled structural modification, with intergrown alumina acting as a physical cross‐linker that stabilizes the laminar structure.
Junhyeok Kang, Hwayong Lee, Suseong Hyun, Jiwon Kim, Ju Yeon Kim, Jeongyeob Oh, Yunseong Ji, Byungchan Han, Dae Woo Kim   +8 more
wiley   +1 more source

New synthetic method for the synthesis of 1,4-dihydropyridine using aminated multiwalled carbon nanotubes as high efficient catalyst and investigation of their antimicrobial properties

Journal of Saudi Chemical Society, 2018
Synthesis of 1,4-dihydropyridines in the presence of aminated multiwalled carbon nanotubes and investigation into their antimicrobial properties were carried out.Amino functionalized carbon nanotubes were prepared through a facile, clean and safe ...
Roya Mahinpour, Leila Moradi, Zohreh Zahraei, Nafiseh Pahlevanzadeh   +3 more
doaj   +1 more source

Ugi Multicomponent Reaction Based Synthesis of Medium-Sized Rings

Organic Letters, 2017
An Ugi multicomponent reaction based two-step strategy was applied to generate medium-sized rings. In the first linear expansion phase, a series of diamines reacted with cyclic anhydrides to produce different lengths of terminal synthetic amino acids as ...
Eman M M Abdelraheem, R. Madhavachary, Arianna Rossetti, K. Kurpiewska, J. Kalinowska‐Tłuścik, S. Shaabani, A. Dömling   +6 more
semanticscholar   +1 more source