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Chemistry of Materials: a Publication of the American Chemical Society

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https://www.readbyqxmd.com/read/28435185/influence-of-rb-cs-cation-exchange-on-inorganic-sn-halide-perovskites-from-chemical-structure-to-physical-properties
#1
Young-Kwang Jung, Ji-Hwan Lee, Aron Walsh, Aloysius Soon
CsSnI3 is a potential lead-free inorganic perovskite for solar energy applications due to its nontoxicity and attractive optoelectronic properties. Despite these advantages, photovoltaic cells using CsSnI3 have not been successful to date, in part due to low stability. We demonstrate how gradual substitution of Rb for Cs influences the structural, thermodynamic, and electronic properties on the basis of first-principles density functional theory calculations. By examining the effect of the Rb:Cs ratio, we reveal a correlation between octahedral distortion and band gap, including spin-orbit coupling...
April 11, 2017: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/28413261/sculpting-silica-colloids-by-etching-particles-with-nonuniform-compositions
#2
Fabian Hagemans, Wessel Vlug, Chiara Raffaelli, Alfons van Blaaderen, Arnout Imhof
We present the synthesis of new shapes of colloidal silica particles by manipulating their chemical composition and subsequent etching. Segments of silica rods, prepared by the ammonia catalyzed hydrolysis and condensation of tetraethylorthosilicate (TEOS) from polyvinylpyrrolidone loaded water droplets, were grown under different conditions. Upon decreasing temperature, delaying ethanol addition, or increasing monomer concentration, the rate of dissolution of the silica segment subsequently formed decreased...
April 11, 2017: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/28413260/missing-linkers-an-alternative-pathway-to-uio-66-electronic-structure-engineering
#3
Arthur De Vos, Kevin Hendrickx, Pascal Van Der Voort, Veronique Van Speybroeck, Kurt Lejaeghere
UiO-66 is a promising metal-organic framework for photocatalytic applications. However, the ligand-to-metal charge transfer of an excited electron is inefficient in the pristine material. Herein, we assess the influence of missing linker defects on the electronic structure of UiO-66 and discuss their ability to improve ligand-to-metal charge transfer. Using a new defect classification system, which is transparent and easily extendable, we identify the most promising photocatalysts by considering both relative stability and electronic structure...
April 11, 2017: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/28413259/materials-genome-in-action-identifying-the-performance-limits-of-physical-hydrogen-storage
#4
Aaron W Thornton, Cory M Simon, Jihan Kim, Ohmin Kwon, Kathryn S Deeg, Kristina Konstas, Steven J Pas, Matthew R Hill, David A Winkler, Maciej Haranczyk, Berend Smit
The Materials Genome is in action: the molecular codes for millions of materials have been sequenced, predictive models have been developed, and now the challenge of hydrogen storage is targeted. Renewably generated hydrogen is an attractive transportation fuel with zero carbon emissions, but its storage remains a significant challenge. Nanoporous adsorbents have shown promising physical adsorption of hydrogen approaching targeted capacities, but the scope of studies has remained limited. Here the Nanoporous Materials Genome, containing over 850 000 materials, is analyzed with a variety of computational tools to explore the limits of hydrogen storage...
April 11, 2017: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/28413258/fluorinated-polyurethane-scaffolds-for-19-f-magnetic-resonance-imaging
#5
Twan Lammers, Marianne E Mertens, Philipp Schuster, Khosrow Rahimi, Yang Shi, Volkmar Schulz, Alexander J C Kuehne, Stefan Jockenhoevel, Fabian Kiessling
Polymers are increasingly employed in implant materials. To reduce the incidence of complications, which in the case of vascular grafts include incorrect placement and restenosis, materials are needed which allow for image-guided implantation, as well as for accurate and efficient postoperative implant imaging. We here describe amorphous fluorinated polymers based on thermoplastic polyurethane ((19)F-TPU), and show that are useful starting materials for developing tissue-engineered vascular grafts which can be detected using (19)F MRI...
April 11, 2017: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/28405059/uniform-atomic-layer-deposition-of-al2o3-on-graphene-by-reversible-hydrogen-plasma-functionalization
#6
René H J Vervuurt, Bora Karasulu, Marcel A Verheijen, Wilhelmus Erwin M M Kessels, Ageeth A Bol
A novel method to form ultrathin, uniform Al2O3 layers on graphene using reversible hydrogen plasma functionalization followed by atomic layer deposition (ALD) is presented. ALD on pristine graphene is known to be a challenge due to the absence of dangling bonds, leading to nonuniform film coverage. We show that hydrogen plasma functionalization of graphene leads to uniform ALD of closed Al2O3 films down to 8 nm in thickness. Hall measurements and Raman spectroscopy reveal that the hydrogen plasma functionalization is reversible upon Al2O3 ALD and subsequent annealing at 400 °C and in this way does not deteriorate the graphene's charge carrier mobility...
March 14, 2017: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/28356613/atomic-layer-deposition-of-titanium-oxide-on-single-layer-graphene-an-atomic-scale-study-toward-understanding-nucleation-and-growth
#7
Yucheng Zhang, Carlos Guerra-Nuñez, Ivo Utke, Johann Michler, Piyush Agrawal, Marta D Rossell, Rolf Erni
Controlled synthesis of a hybrid nanomaterial based on titanium oxide and single-layer graphene (SLG) using atomic layer deposition (ALD) is reported here. The morphology and crystallinity of the oxide layer on SLG can be tuned mainly with the deposition temperature, achieving either a uniform amorphous layer at 60 °C or ∼2 nm individual nanocrystals on the SLG at 200 °C after only 20 ALD cycles. A continuous and uniform amorphous layer formed on the SLG after 180 cycles at 60 °C can be converted to a polycrystalline layer containing domains of anatase TiO2 after a postdeposition annealing at 400 °C under vacuum...
March 14, 2017: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/28413257/tuning-and-locking-the-localized-surface-plasmon-resonances-of-cus-covellite-nanocrystals-by-an-amorphous-cupd-x-s-shell
#8
Yi Xie, Wenhui Chen, Giovanni Bertoni, Ilka Kriegel, Mo Xiong, Neng Li, Mirko Prato, Andreas Riedinger, Ayyappan Sathya, Liberato Manna
We demonstrate the stabilization of the localized surface plasmon resonance (LSPR) in a semiconductor-based core-shell heterostructure made of a plasmonic CuS core embedded in an amorphous-like alloyed CuPd x S shell. This heterostructure is prepared by reacting the as-synthesized CuS nanocrystals (NCs) with Pd(2+) cations at room temperature in the presence of an electron donor (ascorbic acid). The reaction starts from the surface of the CuS NCs and proceeds toward the center, causing reorganization of the initial lattice and amorphization of the covellite structure...
February 28, 2017: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/28316369/understanding-the-electrochemical-formation-and-decomposition-of-li2o2-and-lioh-with-operando-x-ray-diffraction
#9
Zhaolong Li, Swapna Ganapathy, Yaolin Xu, Jouke R Heringa, Quanyao Zhu, Wen Chen, Marnix Wagemaker
The lithium air, or Li-O2, battery system is a promising electrochemical energy storage system because of its very high theoretical specific energy, as required by automotive applications. Fundamental research has resulted in much progress in mitigating detrimental (electro)chemical processes; however, the detailed structural evolution of the crystalline Li2O2 and LiOH discharge products, held at least partially responsible for the limited reversibility and poor rate performance, is hard to measure operando under realistic electrochemical conditions...
February 28, 2017: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/28260837/facet-dependent-interactions-of-islet-amyloid-polypeptide-with-gold-nanoparticles-implications-for-fibril-formation-and-peptide-induced-lipid-membrane-disruption
#10
Shih-Ting Wang, Yiyang Lin, Nevena Todorova, Yingqi Xu, Manuel Mazo, Subinoy Rana, Vincent Leonardo, Nadav Amdursky, Christopher D Spicer, Bruce D Alexander, Alison A Edwards, Steve J Matthews, Irene Yarovsky, Molly M Stevens
A comprehensive understanding of the mechanisms of interaction between proteins or peptides and nanomaterials is crucial for the development of nanomaterial-based diagnostics and therapeutics. In this work, we systematically explored the interactions between citrate-capped gold nanoparticles (AuNPs) and islet amyloid polypeptide (IAPP), a 37-amino acid peptide hormone co-secreted with insulin from the pancreatic islet. We utilized diffusion-ordered spectroscopy, isothermal titration calorimetry, localized surface plasmon resonance spectroscopy, gel electrophoresis, atomic force microscopy, transmission electron microscopy (TEM), and molecular dynamics (MD) simulations to systematically elucidate the underlying mechanism of the IAPP-AuNP interactions...
February 28, 2017: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/28405058/area-selective-atomic-layer-deposition-of-in2o3-h-using-a-%C3%AE-plasma-printer-for-local-area-activation
#11
Alfredo Mameli, Yinghuan Kuang, Morteza Aghaee, Chaitanya K Ande, Bora Karasulu, Mariadriana Creatore, Adriaan J M Mackus, Wilhelmus M M Kessels, Fred Roozeboom
No abstract text is available yet for this article.
February 14, 2017: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/28216805/high-yield-alkylation-and-arylation-of-graphene-via-grignard-reaction-with-fluorographene
#12
Demetrios D Chronopoulos, Aristides Bakandritsos, Petr Lazar, Martin Pykal, Klára Čépe, Radek Zbořil, Michal Otyepka
No abstract text is available yet for this article.
February 14, 2017: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/28111496/a-perspective-on-the-synthesis-purification-and-characterization-of-porous-organic-cages
#13
REVIEW
Michael E Briggs, Andrew I Cooper
Porous organic cages present many opportunities in functional materials chemistry, but the synthetic challenges for these molecular solids are somewhat different from those faced in the areas of metal-organic frameworks, covalent-organic frameworks, or porous polymer networks. Here, we highlight the practical methods that we have developed for the design, synthesis, and characterization of imine porous organic cages using CC1 and CC3 as examples. The key points are transferable to other cages, and this perspective should serve as a practical guide to researchers who are new to this field...
January 10, 2017: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/28133416/understanding-and-controlling-cu-catalyzed-graphene-nucleation-the-role-of-impurities-roughness-and-oxygen-scavenging
#14
Philipp Braeuninger-Weimer, Barry Brennan, Andrew J Pollard, Stephan Hofmann
The mechanism by which Cu catalyst pretreatments control graphene nucleation density in scalable chemical vapor deposition (CVD) is systematically explored. The intrinsic and extrinsic carbon contamination in the Cu foil is identified by time-of-flight secondary ion mass spectrometry as a major factor influencing graphene nucleation and growth. By selectively oxidizing the backside of the Cu foil prior to graphene growth, a drastic reduction of the graphene nucleation density by 6 orders of magnitude can be obtained...
December 27, 2016: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/28190918/controlling-thermal-expansion-a-metal-organic-frameworks-route
#15
Salvador R G Balestra, Rocio Bueno-Perez, Said Hamad, David Dubbeldam, A Rabdel Ruiz-Salvador, Sofia Calero
Controlling thermal expansion is an important, not yet resolved, and challenging problem in materials research. A conceptual design is introduced here, for the first time, for the use of metal-organic frameworks (MOFs) as platforms for controlling thermal expansion devices that can operate in the negative, zero, and positive expansion regimes. A detailed computer simulation study, based on molecular dynamics, is presented to support the targeted application. MOF-5 has been selected as model material, along with three molecules of similar size and known differences in terms of the nature of host-guest interactions...
November 22, 2016: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/27917024/efficient-light-induced-phase-transitions-in-halogen-bonded-liquid-crystals
#16
Francisco Fernandez-Palacio, Mikko Poutanen, Marco Saccone, Antti Siiskonen, Giancarlo Terraneo, Giuseppe Resnati, Olli Ikkala, Pierangelo Metrangolo, Arri Priimagi
Here, we present a new family of light-responsive, fluorinated supramolecular liquid crystals (LCs) showing efficient and reversible light-induced LC-to-isotropic phase transitions. Our materials design is based on fluorinated azobenzenes, where the fluorination serves to strengthen the noncovalent interaction with bond-accepting stilbazole molecules, and increase the lifetime of the cis-form of the azobenzene units. The halogen-bonded LCs were characterized by means of X-ray diffraction, hot-stage polarized optical microscopy, and differential scanning calorimetry...
November 22, 2016: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/27818575/structural-evolution-of-electrochemically-lithiated-mos2-nanosheets-and-the-role-of-carbon-additive-in-li-ion-batteries
#17
Chandramohan George, Andrew J Morris, Mohammad H Modarres, Michael De Volder
Understanding the structure and phase changes associated with conversion-type materials is key to optimizing their electrochemical performance in Li-ion batteries. For example, molybdenum disulfide (MoS2) offers a capacity up to 3-fold higher (∼1 Ah/g) than the currently used graphite anodes, but they suffer from limited Coulombic efficiency and capacity fading. The lack of insights into the structural dynamics induced by electrochemical conversion of MoS2 still hampers its implementation in high energy-density batteries...
October 25, 2016: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/28260836/organic-to-aqueous-phase-transfer-of-cadmium-chalcogenide-quantum-dots-using-a-sulfur-free-ligand-for-enhanced-photoluminescence-and-oxidative-stability
#18
Raul Calzada, Christopher M Thompson, Dana E Westmoreland, Kedy Edme, Emily A Weiss
This paper describes a procedure for transferring colloidal CdS and CdSe quantum dots (QDs) from organic solvents to water by exchanging their native hydrophobic ligands for phosphonopropionic acid (PPA) ligands, which bind to the QD surface through the phosphonate group. This method, which uses dimethylformamide as an intermediate transfer solvent, was developed in order to produce high-quality water soluble QDs with neither a sulfur-containing ligand nor a polymer encapsulation layer, both of which have disadvantages in applications of QDs to photocatalysis and biological imaging...
September 27, 2016: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/27713598/shape-control-of-colloidal-cu2-x-s-polyhedral-nanocrystals-by-tuning-the-nucleation-rates
#19
Ward van der Stam, Sabine Gradmann, Thomas Altantzis, Xiaoxing Ke, Marc Baldus, Sara Bals, Celso de Mello Donega
Synthesis protocols for colloidal nanocrystals (NCs) with narrow size and shape distributions are of particular interest for the successful implementation of these nanocrystals into devices. Moreover, the preparation of NCs with well-defined crystal phases is of key importance. In this work, we show that Sn(IV)-thiolate complexes formed in situ strongly influence the nucleation and growth rates of colloidal Cu2-x S polyhedral NCs, thereby dictating their final size, shape, and crystal structure. This allowed us to successfully synthesize hexagonal bifrustums and hexagonal bipyramid NCs with low-chalcocite crystal structure, and hexagonal nanoplatelets with various thicknesses and aspect ratios with the djurleite crystal structure, by solely varying the concentration of Sn(IV)-additives (namely, SnBr4) in the reaction medium...
September 27, 2016: Chemistry of Materials: a Publication of the American Chemical Society
https://www.readbyqxmd.com/read/27656042/electroconductive-hydrogel-based-on-functional-poly-ethylenedioxy-thiophene
#20
Damia Mawad, Arbel Artzy-Schnirman, Joanne Tonkin, Jose Ramos, Sahika Inal, Muzamir M Mahat, Nadim Darwish, Limor Zwi-Dantsis, George G Malliaras, J Justin Gooding, Antonio Lauto, Molly M Stevens
Poly(ethylene dioxythiophene) with functional pendant groups bearing double bonds is synthesized and employed for the fabrication of electroactive hydrogels with advantageous characteristics: covalently cross-linked porous 3D scaffolds with notable swelling ratio, appropriate mechanical properties, electroactivity in physiological conditions, and suitability for proliferation and differentiation of C2C12 cells. This is a new approach for the fabrication of conductive engineered constructs.
September 13, 2016: Chemistry of Materials: a Publication of the American Chemical Society
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