Rational Design Combining Morphology and Charge-Dynamic for Hematite/Nickel–Iron Oxide Thin-Layer Photoanodes: Insights into the Role of the Absorber/Catalyst Junction

2019 ◽  
Vol 11 (51) ◽  
pp. 48002-48012 ◽  
Author(s):  
Michele Orlandi ◽  
Serena Berardi ◽  
Alberto Mazzi ◽  
Stefano Caramori ◽  
Rita Boaretto ◽  
...  
Keyword(s):  
Iron Oxide ◽  
Thin Layer ◽  
Rational Design ◽  
Nickel Iron ◽  
Charge Dynamic

Effect of High Salt Concentration on Ion Clustering and Transport in Polymer Solid Electrolytes: a Molecular Dynamics Study of PEO-LiTFSI

2018 ◽  
Author(s):  
Nicola Molinari ◽  
Jonathan P. Mailoa ◽  
Boris Kozinsky
Keyword(s):  
Polymer Electrolyte ◽  
Salt Concentration ◽  
Rational Design ◽  
Material System ◽  
Ion Dynamics ◽  
High Concentration ◽  
Anion Clusters ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene

<div> <div> <div> <p>The model and analysis methods developed in this work are generally applicable to any polymer electrolyte/cation-anion combination, but we focus on the currently most prominent polymer electrolyte material system: poly(ethylene) oxide/Li- bis(trifluoromethane) sulfonamide (PEO + LiTFSI). The obtained results are surprising and challenge the conventional understanding of ionic transport in polymer electrolytes: the investigation of a technologically relevant salt concentration range (1 - 4 M) revealed the central role of the anion in coordinating and hindering Li ion movement. Our results provide insights into correlated ion dynamics, at the same time enabling rational design of better PEO-based electrolytes. In particular, we report the following novel observations. 1. Strong binding of the Li cation with the polymer competes with significant correlation of the cation with the salt anion. 2. The appearance of cation-anion clusters, especially at high concentration. 3. The asymmetry in the composition (and therefore charge) of such clusters; specifically, we find the tendency for clusters to have a higher number of anions than cations.</p> </div> </div> </div>

Effect of High Salt Concentration on Ion Clustering and Transport in Polymer Solid Electrolytes: a Molecular Dynamics Study of PEO-LiTFSI

2018 ◽  
Author(s):  
Nicola Molinari ◽  
Jonathan P. Mailoa ◽  
Boris Kozinsky
Keyword(s):  
Polymer Electrolyte ◽  
Salt Concentration ◽  
Rational Design ◽  
Material System ◽  
Ion Dynamics ◽  
High Concentration ◽  
Anion Clusters ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene

<div> <div> <div> <p>The model and analysis methods developed in this work are generally applicable to any polymer electrolyte/cation-anion combination, but we focus on the currently most prominent polymer electrolyte material system: poly(ethylene) oxide/Li- bis(trifluoromethane) sulfonamide (PEO + LiTFSI). The obtained results are surprising and challenge the conventional understanding of ionic transport in polymer electrolytes: the investigation of a technologically relevant salt concentration range (1 - 4 M) revealed the central role of the anion in coordinating and hindering Li ion movement. Our results provide insights into correlated ion dynamics, at the same time enabling rational design of better PEO-based electrolytes. In particular, we report the following novel observations. 1. Strong binding of the Li cation with the polymer competes with significant correlation of the cation with the salt anion. 2. The appearance of cation-anion clusters, especially at high concentration. 3. The asymmetry in the composition (and therefore charge) of such clusters; specifically, we find the tendency for clusters to have a higher number of anions than cations.</p> </div> </div> </div>

scholarly journals Role of hydration and micellar shielding in tuning the structure of single crystalline iron oxide nanoparticles for designer applications

Nano Select ◽  
2021 ◽  
Author(s):  
Ramis Arbi ◽  
Amr Ibrahim ◽  
Liora Goldring‐Vandergeest ◽  
Kunyu Liang ◽  
Greg Hanta ◽  
...  
Keyword(s):  
Iron Oxide ◽  
Iron Oxide Nanoparticles ◽  
Oxide Nanoparticles ◽  
Single Crystalline

scholarly journals Role of the forcing dimensionality in thin-layer turbulent energy cascades

2020 ◽  
Vol 5 (6) ◽  
Author(s):  
Basile Poujol ◽  
Adrian van Kan ◽  
Alexandros Alexakis
Keyword(s):  
Thin Layer ◽  
Turbulent Energy ◽  
Energy Cascades

GLASS STABILITY EFFECT OF IRON OXIDE ADDED TO ALKALINE EARTH BORATE GLASSES

2007 ◽  
Vol 21 (05) ◽  
pp. 731-736
Author(s):  
V. SIMON ◽  
P. RIEDL ◽  
E. TATARU
Keyword(s):  
Iron Oxide ◽  
Short Range ◽  
Alkaline Earth ◽  
Structural Changes ◽  
Opposite Effect ◽  
Glass Stability ◽  
Intermediate Range Order ◽  
Alkaline Earths ◽  
Stability Effect

Glass stability and the structural role of iron oxide in x Fe 2 O 3(100-x)[ B 2 O 3– MO ] systems ( M=Ca , Sr or Ba , 0≤x≤30 mol%) were estimated from differential thermal analysis. The results suggest structural changes characteristic for the transition from short range to intermediate range order as the cationic field strength of the alkaline earths increases. In contrast, the iron addition has an opposite effect and determines a higher glass stability of these systems.

scholarly journals Engineering single-atomic ruthenium catalytic sites on defective nickel-iron layered double hydroxide for overall water splitting

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Panlong Zhai ◽  
Mingyue Xia ◽  
Yunzhen Wu ◽  
Guanghui Zhang ◽  
Junfeng Gao ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Water Splitting ◽  
Layered Double Hydroxide ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Density Functional ◽  
Rational Design ◽  
Single Atom ◽  
Nickel Iron ◽  
Double Hydroxide

AbstractRational design of single atom catalyst is critical for efficient sustainable energy conversion. However, the atomic-level control of active sites is essential for electrocatalytic materials in alkaline electrolyte. Moreover, well-defined surface structures lead to in-depth understanding of catalytic mechanisms. Herein, we report a single-atomic-site ruthenium stabilized on defective nickel-iron layered double hydroxide nanosheets (Ru1/D-NiFe LDH). Under precise regulation of local coordination environments of catalytically active sites and the existence of the defects, Ru1/D-NiFe LDH delivers an ultralow overpotential of 18 mV at 10 mA cm−2 for hydrogen evolution reaction, surpassing the commercial Pt/C catalyst. Density functional theory calculations reveal that Ru1/D-NiFe LDH optimizes the adsorption energies of intermediates for hydrogen evolution reaction and promotes the O–O coupling at a Ru–O active site for oxygen evolution reaction. The Ru1/D-NiFe LDH as an ideal model reveals superior water splitting performance with potential for the development of promising water-alkali electrocatalysts.

A selenium-containing ruthenium complex as a cancer radiosensitizer, rational design and the important role of ROS-mediated signalling

2015 ◽  
Vol 51 (13) ◽  
pp. 2637-2640 ◽  
Author(s):  
Zhiqin Deng ◽  
Lianling Yu ◽  
Wenqiang Cao ◽  
Wenjie Zheng ◽  
Tianfeng Chen
Keyword(s):  
Rational Design ◽  
Ruthenium Complex ◽  
Ruthenium Complexes

We have described the rational design of selenium-containing ruthenium complexes and their use as cancer radiosensitizers through regulating ROS-mediated pathways.

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