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Solid Liquid Interface

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https://read.qxmd.com/read/30774924/one-dimensional-vs-two-dimensional-proton-transport-processes-at-solid-liquid-zinc-oxide-water-interfaces
#1
Matti Hellström, Vanessa Quaranta, Jörg Behler
Long-range charge transport is important for many applications like batteries, fuel cells, sensors, and catalysis. Obtaining microscopic insights into the atomistic mechanism is challenging, in particular if the underlying processes involve protons as the charge carriers. Here, large-scale reactive molecular dynamics simulations employing an efficient density-functional-theory-based neural network potential are used to unravel long-range proton transport mechanisms at solid-liquid interfaces, using the zinc oxide-water interface as a prototypical case...
January 28, 2019: Chemical Science
https://read.qxmd.com/read/30774335/development-of-biosurfactant-based-graphene-quantum-dot-conjugate-as-a-novel-and-fluorescent-theranostic-tool-for-cancer
#2
Smriti Bansal, Joga Singh, Uma Kumari, Indu Pal Kaur, Ravi Pratap Barnwal, Ravinder Kumar, Suman Singh, Gurpal Singh, Mary Chatterjee
Background: Biosurfactants are amphipathic molecules of microbial origin that reduce surface and interfacial tension at gas-liquid-solid interfaces. Earlier, the biosurfactant was isolated and characterized in our laboratory from Candida parapsilosis . The property of the biosurfactant is further explored in this study by using quantum dots (QDs) as nanocarrier. Materials and methods: Graphene quantum dots (GQDs) were synthesized by bottom-up approach through pyrolysis of citric acid...
2019: International Journal of Nanomedicine
https://read.qxmd.com/read/30767289/grow-with-the-flow-when-morphogenesis-meets-microfluidics
#3
REVIEW
Pinak Samal, Clemens van Blitterswijk, Roman Truckenmüller, Stefan Giselbrecht
Developmental biology has advanced the understanding of the intricate and dynamic processes involved in the formation of an organism from a single cell. However, many gaps remain in the knowledge of embryonic development, especially regarding tissue morphogenesis. A possible approach to mimic such phenomena uses pluripotent stem cells in in vitro morphogenetic models. Herein, these systems are summarized with emphasis on the ability to better manipulate and control cellular interfaces with either liquid or solid materials using microengineered tools, which is critical for attaining deeper insights into pattern formation and stem cell differentiation during organogenesis...
February 14, 2019: Advanced Materials
https://read.qxmd.com/read/30759342/apparent-contact-angles-on-lubricant-impregnated-surfaces-slips-from-superhydrophobicity-to-electrowetting
#4
Glen McHale, Bethany V Orme, Gary George Wells, Rodrigo Andres Ledesma-Aguilar
A fundamental limitation of liquids on many surfaces is their contact line pinning. This limitation can be overcome by infusing a non-volatile and immiscible liquid or lubricant into texture or roughness created in or applied onto the solid substrate so that the liquid of interest no longer directly contacts the underlying surface. Such slippery liquid infused porous surfaces (SLIPS), also known as lubricant impregnated surfaces, complete remove contact line pinning and contact angle hysteresis. However, although a sessile droplet may rest on such a surface, its contact angle can only be an apparent contact angle because its contact is now with a second liquid and not a solid...
February 13, 2019: Langmuir: the ACS Journal of Surfaces and Colloids
https://read.qxmd.com/read/30744014/quantification-of-the-photocatalytic-self-cleaning-ability-of-non-transparent-materials
#5
Marco Minella, Claudio Minero
The photo-induced reactivity of compounds at the surface of photocatalytic materials is used to maintain the cleanliness of the surface of glass, concretes and paints. A standard method to quantify the photocatalytic self-cleaning (SC) properties of non-transparent materials was recently published. It is based on the covering of the sample surface with a defined amount of dye and on the evaluation of the reflectance spectra of the coloured surface under irradiation. The calibration of the spectral changes allowed the quantification of the surface residual dye and the evaluation of the self-cleaning kinetics...
February 8, 2019: Materials
https://read.qxmd.com/read/30740908/water-as-an-effective-additive-for-improved-high-energy-density-na-metal-batteries-electrolyte-studies-up-to-10000-ppm-water-in-a-superconcentrated-ionic-liquid-electrolyte
#6
Shammi Akter Ferdousi, Matthias Hilder, Andrew Basile, Haijin Zhu, Luke A O'Dell, Damien Saurel, Teofilo Rojo, Michel Armand, Maria Forsyth, Patrick Howlett
The effect of water on the properties of super concentrated sodium salt solutions in ionic liquids (ILs) was investigated in order to design electrolytes for sodium battery applications using water as an additive. Water were added to a 50 mol% solution of NaFSI in the ionic liquid N-methyl-N-propylpyrrolidinium bis(fluorosulfonyl)imide (C3mpyrFSI). While the thermal properties (glass transition temperature) showed little dependence on the water content, the viscosity and, in particular the ionic conductivity, are strongly affected...
February 10, 2019: ChemSusChem
https://read.qxmd.com/read/30740881/new-insights-into-the-electrochemistry-superiority-of-liquid-na-k-alloy-in-metal-batteries
#7
Man Huang, Baojuan Xi, Zhenyu Feng, Fangfang Wu, Denghu Wei, Jing Liu, Jinkui Feng, Yitai Qian, Shenglin Xiong
The significant issues with alkali metal batteries arise from their poor electrochemical properties and safety problems, limiting their applications. Herein, TiO2 nanoparticles embedded into N-doped porous carbon truncated ocatahedra (TiO2 ⊂NPCTO) are engineered as a cathode material with different metal anodes, including solid Na or K and liquid Na-K alloy. Electrochemical performance and kinetics are systematically analyzed, with the aim to determine detailed electrochemistry. By using a galvanostatic intermittent titration technique, TiO2 ⊂NPCTO/NaK shows faster diffusion of metal ions in insertion and extraction processes than that of Na-ions and K-ions in solid Na and K...
February 10, 2019: Small
https://read.qxmd.com/read/30737862/in-situ-operando-x-ray-characterization-of-metal-hydrides
#8
Yi-Sheng Liu, Sohee Jeong, James White, Xuefei Feng, Eun Seon Cho, Vitalie Stavila, Mark Allendorf, Jeffrey Urban, Jinghua Guo
In this article, the capabilities of soft and hard X-ray techniques, including X-ray absorption (XAS), soft X-ray emission spectroscopy (XES), resonant inelastic soft X-ray scattering (RIXS), X-ray photoelectron spectroscopy (XPS), and X-ray diffraction (XRD), and their application to solid-state hydrogen storage materials are presented. These characterization tools are indispensable for interrogating hydrogen storage materials at the relevant length scales of fundamental interest, which range from the micron scale to nanometer dimensions...
February 8, 2019: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://read.qxmd.com/read/30735347/unraveling-the-formation-mechanism-of-solid-liquid-electrolyte-interphases-on-lipon-thin-films
#9
Manuel Weiss, Beatrix-Kamelia Seidlhofer, Matthias Geiß, Clemens Geis, Martin R Busche, Maximilian Becker, Nella M Vargas-Barbosa, Luca Silvi, Wolfgang G Zeier, Daniel Schröder, Jürgen Janek
Most commercial lithium-ion batteries and other types of batteries rely on liquid electrolytes, which are preferred due to their high ionic conductivity and facilitate fast charge-transfer kinetics at the electrodes. On the other hand, hybrid battery concepts that combine solid and liquid electrolytes might be needed to suppress unwanted shuttle effects in liquid electrolyte-only systems, in particular if mobile redox systems are involved in the cell chemistry. However, at the then newly introduced interface between liquid and solid electrolyte, a solid-liquid electrolyte interphase forms...
February 8, 2019: ACS Applied Materials & Interfaces
https://read.qxmd.com/read/30733576/high-speed-x-ray-imaging-of-the-leidenfrost-collapse
#10
Paul R Jones, Chihpin Andrew Chuang, Tao Sun, Tom Y Zhao, Kamel Fezzaa, Juan C Takase, Dileep Singh, Neelesh A Patankar
The Leidenfrost layer is characterized by an insulating vapor film between a heated surface and an ambient liquid. The collapse of this film has been canonically theorized to occur from an interfacial instability between the liquid and vapor phases. The interfacial instability alone, however, is insufficient to explain the known influence of the surface on the film collapse process. In this work, we provide visual evidence for two key mechanisms governing the film collapse: the interfacial instability, and the nucleation of vapor upon multiple non-terminal liquid-solid contacts...
February 7, 2019: Scientific Reports
https://read.qxmd.com/read/30723193/a-versatile-functionalized-ionic-liquid-to-boost-the-solution-mediated-performances-of-lithium-oxygen-batteries
#11
Jinqiang Zhang, Bing Sun, Yufei Zhao, Anastasia Tkacheva, Zhenjie Liu, Kang Yan, Xin Guo, Andrew M McDonagh, Devaraj Shanmukaraj, Chengyin Wang, Teofilo Rojo, Michel Armand, Zhangquan Peng, Guoxiu Wang
Due to the high theoretical specific energy, the lithium-oxygen battery has been heralded as a promising energy storage system for applications such as electric vehicles. However, its large over-potentials during discharge-charge cycling lead to the formation of side-products, and short cycle life. Herein, we report an ionic liquid bearing the redox active 2,2,6,6-tetramethyl-1-piperidinyloxy moiety, which serves multiple functions as redox mediator, oxygen shuttle, lithium anode protector, as well as electrolyte solvent...
February 5, 2019: Nature Communications
https://read.qxmd.com/read/30721828/corn-waste-valorization-to-generate-activated-hydrochar-to-recover-ammonium-nitrogen-from-compost-leachate-by-hydrothermal-assisted-pretreatment
#12
Tao Zhang, Xiaosha Wu, Xing Fan, Daniel C W Tsang, Guoxue Li, Yujun Shen
Valorization of corn waste involves synthesis of hydrochar for use as a sorbent for ammonium nitrogen recovery from swine manure compost leachate. However, the inability to directly capture organic nitrogen and insoluble nitrogen, and the low sorption ability of hydrochar remain key issues. To overcome these issues, we used hydrothermal assisted pretreatment of compost leachate to promote the solubilization of nitrogen contained in feces, and the conversion of organic nitrogen into ammonium nitrogen in the compost leachate...
February 1, 2019: Journal of Environmental Management
https://read.qxmd.com/read/30721052/characterization-of-orange-oil-powders-and-oleogels-fabricated-from-emulsion-templates-stabilized-solely-by-a-natural-triterpene-saponin
#13
Xiao-Wei Chen, Xiao-Quan Yang
A new facile route was reported to use the natural triterpene quillaja saponin (QS)-stabilized orange emulsions as template for the development of flavor oil powders and oleogels achieved by tunable oil fraction and drying mode. A fibrosis network interfacial film from self-assembly of QS at the oil-water interface possibility contributed to the fabrication of stable emulsion precursors, and subsequent oil powder and oleogels by packing oil droplets in the network structure. An oil powder containing as high as 93 wt% of orange oil was obtained by spray-drying, showing excellent stability, flowability and reconstitution ability...
February 5, 2019: Journal of Agricultural and Food Chemistry
https://read.qxmd.com/read/30716277/impact-of-polymer-enrichment-at-the-crystal-liquid-interface-on-crystallization-kinetics-of-amorphous-solid-dispersions
#14
Jie Zhang, Qin Shi, Jun Tao, Yayun Peng, Ting Cai
Amorphous solid dispersions have been widely used as an effective formulation strategy in the oral delivery of poorly soluble drugs. However, one of the main challenges in the development of amorphous drugs is to maintain their physical stability. The underlying mechanism of amorphous drugs crystallized in polymeric matrices is still poorly understood. In this study, we report the phenomenon of polymer enrichment at the crystal-liquid interface during the crystallization of griseofulvin (GSF) in the presence of poly (ethylene oxide) (PEO)...
February 4, 2019: Molecular Pharmaceutics
https://read.qxmd.com/read/30712347/properties-of-blisters-formed-on-polymer-film-and-differences-from-surface-nanobubbles
#15
Dayong Li, Yuanlin Liu, Litao Qi, Juan Gu, Qingju Tang, Xuehui Wang, Bharat Bhushan
When studying surface nanobubbles on film coated substrates, a kind of bubble-like domain called blisters are probably forming at the solid-liquid interface together with nanobubbles. This may easily lead to misunderstanding of the characteristics and applications of surface nanobubbles and thus continue to cause problems within the nanobubble community. Therefore, how to distinguish surface nanobubbles from blisters is a problem. Herein, the morphology and properties of blisters are investigated on both smooth and nanopitted polystyrene (PS) film in degassed water...
February 4, 2019: Langmuir: the ACS Journal of Surfaces and Colloids
https://read.qxmd.com/read/30709310/exploring-chemical-speciation-at-electrified-interfaces-using-detailed-continuum-models
#16
Artem Baskin, David Prendergast
We present a local free-energy functional-based generic continuum model for material interfaces with a specific emphasis on electrified solid/liquid interfaces. The model enables a description of multicomponent phases at interfaces and includes the effects of specific non-electrostatic interactions (specific adsorption), ion size disparity, and the explicit presence of neutral species. In addition to the optimization of electrostatic, non-electrostatic, and steric forces, the model can be easily modified to explore the effects of other channels for equilibration, including local chemical transformations driven by equilibrium constants and electrochemical reactions driven by the electrode potential...
January 28, 2019: Journal of Chemical Physics
https://read.qxmd.com/read/30709279/dft-md-of-the-110-co-3-o-4-cobalt-oxide-semiconductor-in-contact-with-liquid-water-preliminary-chemical-and-physical-insights-into-the-electrochemical-environment
#17
Fabrizio Creazzo, Daria Ruth Galimberti, Simone Pezzotti, Marie-Pierre Gaigeot
Within the general context of the electrochemical oxygen evolution reaction of the water oxidation/electrolysis, we focus on one essential aspect of electrochemical interfaces, i.e., the comprehension of the interaction and organisation of liquid water at the (semiconductor) (110)-Co3 O4 surface using density functional theory-molecular dynamics simulations. A detailed characterization of the chemical and physical properties of the aqueous interface is provided in terms of structure, dynamics, electric field, work function, and spectroscopy, as a preliminary step into the modelling of the (110)-Co3 O4 aqueous surface in more relevant electrochemical conditions...
January 28, 2019: Journal of Chemical Physics
https://read.qxmd.com/read/30709274/grand-canonical-approach-to-density-functional-theory-of-electrocatalytic-systems-thermodynamics-of-solid-liquid-interfaces-at-constant-ion-and-electrode-potentials
#18
Marko M Melander, Mikael J Kuisma, Thorbjørn Erik Køppen Christensen, Karoliina Honkala
Properties of solid-liquid interfaces are of immense importance for electrocatalytic and electrochemical systems, but modeling such interfaces at the atomic level presents a serious challenge and approaches beyond standard methodologies are needed. An atomistic computational scheme needs to treat at least part of the system quantum mechanically to describe adsorption and reactions, while the entire system is in thermal equilibrium. The experimentally relevant macroscopic control variables are temperature, electrode potential, and the choice of the solvent and ions, and these need to be explicitly included in the computational model as well; this calls for a thermodynamic ensemble with fixed ion and electrode potentials...
January 28, 2019: Journal of Chemical Physics
https://read.qxmd.com/read/30709259/interpretation-of-young-s-equation-for-a-liquid-droplet-on-a-flat-and-smooth-solid-surface-mechanical-and-thermodynamic-routes-with-a-simple-lennard-jones-liquid
#19
Yasutaka Yamaguchi, Hiroki Kusudo, Donatas Surblys, Takeshi Omori, Gota Kikugawa
In this study, we carried out molecular dynamics simulations of a cylindrical Lennard-Jones droplet on a flat and smooth solid surface and showed that Young's equation as the relation among solid-liquid, solid-vapor, and liquid-vapor interfacial tensions γSL , γSV , and γLV , respectively, was applicable only under a very restricted condition. Using the fluid stress-tensor distribution, we examined the force balance in the surface-lateral direction exerted on a rectangular control volume set around the contact line...
January 28, 2019: Journal of Chemical Physics
https://read.qxmd.com/read/30709242/understanding-the-electrochemical-double-layer-at-the-hematite-water-interface-a-first-principles-molecular-dynamics-study
#20
Kanchan Ulman, Emiliano Poli, Nicola Seriani, Simone Piccinin, Ralph Gebauer
Using first principles molecular dynamics simulations, we probe the electrochemical double layer formed at the interface between the hematite surface and water. We consider two terminations of the (001) surface, viz., the fully hydroxylated (OH) and the stoichiometric (FeO3 Fe) termination. We explicitly incorporate the counterions (Na+ and F- ) in the solution, and model both specific and nonspecific adsorption of F- ions. We find that F- ions prefer to bind directly to the Fe ions (specific adsorption), with a substantial energy gain (0...
January 28, 2019: Journal of Chemical Physics
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