Bidirectional Superionic Conduction in Surface-Engineered 2D Hexagonal Boron Nitrides

2021 ◽  
Vol 13 (5) ◽  
pp. 6532-6544
Author(s):  
Jasneet Kaur ◽  
Adel Malekkhouyan ◽  
Gurpreet S. Selopal ◽  
Zhiming M. Wang ◽  
Federico Rosei ◽  
...  
Keyword(s):  
Boron Nitrides ◽  
Superionic Conduction

scholarly journals Superionic Conduction in Co-Vacant P2-NaxCoO2Created by Hydrogen Reductive Elimination

2016 ◽  
Vol 11 (10) ◽  
pp. 1537-1541 ◽  
Author(s):  
Kenichi Kato ◽  
Hidetaka Kasai ◽  
Akihiro Hori ◽  
Masaki Takata ◽  
Hiroshi Tanaka ◽  
...  
Keyword(s):  
Reductive Elimination ◽  
Superionic Conduction

Superionic conduction in Li 2 S - P 2 S 5 - LiI - glasses

1981 ◽  
Vol 5 ◽  
pp. 663-666 ◽  
Author(s):  
René Mercier ◽  
Jean-Pierre Malugani ◽  
Bernard Fahys ◽  
Guy Robert
Keyword(s):  
Superionic Conduction

scholarly journals Vacancy-Driven Na+ Superionic Conduction in New Ca-Doped Na3PS4 for All-Solid-State Na-Ion Batteries

2018 ◽  
Vol 3 (10) ◽  
pp. 2504-2512 ◽  
Author(s):  
Chang Ki Moon ◽  
Hyun-Jae Lee ◽  
Kern Ho Park ◽  
Hiram Kwak ◽  
Jongwook W. Heo ◽  
...  
Keyword(s):  
Solid State ◽  
Superionic Conduction

scholarly journals Influence of Br − /S 2− site-exchange on Li diffusion mechanism in Li 6 PS 5 Br: a computational study

2021 ◽  
Vol 379 (2211) ◽  
Author(s):  
Marcel Sadowski ◽  
Karsten Albe
Keyword(s):  
Rotation Axis ◽  
Computational Study ◽  
Diffusion Mechanism ◽  
Range Transport ◽  
Site Exchange ◽  
Dynamics Simulations ◽  
Low Degrees ◽  
Fast Ion ◽  
Free Material ◽  
Superionic Conduction

We investigate how low degrees of Br − / S 2 − site-exchange influence the Li + diffusion in the argyrodite-type solid electrolyte Li 6 PS 5 Br by ab initio molecular dynamics simulations. Based on the atomic trajectories of the defect-free material, a new mechanism for the internal Li + reorganization within the Li + cages around the 4 d sites is identified. This reorganization mechanism is highly concerted and cannot be described by just one rotation axis. Simulations with Br − / S 2 − defects reveal that Li + interstitials ( L ii . ) are the dominant mobile charge carriers and originate from Frenkel pairs. These are formed because B rS . defects on the 4 d sites donate one or even two L ii . to the neighbouring cages. The L ii . then carry out intercage jumps via interstitial and interstitialcy mechanisms. With that, one single B rS . defect enables Li + diffusion over an extended spatial area explaining why low degrees of site-exchange are sufficient to trigger superionic conduction. The vacant sites of the Frenkel pairs, namely V Li   ′ , are mostly immobile and bound to the B rS . defect. Because S Br ′ defects on 4 a sites act as sinks for L ii . they seem to be beneficial only for the local Li + transport. In their vicinity T4 tetrahedral sites start to get occupied. Because the Li + transport was found to be rather confined if S Br ′ and B rS . defects are direct neighbours, their relative arrangement seems to be crucial for effective long-range transport. This article is part of the Theo Murphy meeting issue ‘Understanding fast-ion conduction in solid electrolytes’.

Far-UV spectroscopy of mono- and multilayer hexagonal boron nitrides

2022 ◽  
pp. 120849
Author(s):  
Sheng-Lung Chou ◽  
Meng-Yeh Lin ◽  
Tzu-Ping Huang ◽  
Shu-Yu Lin ◽  
Min-Zhen Yang ◽  
...  
Keyword(s):  
Uv Spectroscopy ◽  
Boron Nitrides

Superionic conduction in a zirconium-formate molecular solid

2020 ◽  
Vol 8 (35) ◽  
pp. 17951-17955
Author(s):  
Mohammad Wahiduzzaman ◽  
Shyamapada Nandi ◽  
Vibhav Yadav ◽  
Kiran Taksande ◽  
Guillaume Maurin ◽  
...  
Keyword(s):  
Ionic Conductivity ◽  
Ion Pairs ◽  
Superionic Conduction ◽  
Molecular Solid

The zirconium-formate molecular solid containing KCl ion pairs (ZF-3) exhibits optimum humidity-sensitive performance in terms of ionic conductivity.

Li+ interstitials as the charge carriers in superionic lithium-rich anti-perovskites

2016 ◽  
Vol 4 (5) ◽  
pp. 1586-1590 ◽  
Author(s):  
R. Mouta ◽  
E. M. Diniz ◽  
C. W. A. Paschoal
Keyword(s):  
Charge Carriers ◽  
Superionic Conduction

Here, we report that in lithium-rich anti-perovskites (LiRAPs) with lithium halide deficiency, Li+ interstitials outnumber vacancies by 2–3 orders of magnitude, so that interstitials might be the actual charge carriers responsible for superionic conduction, as opposed to what has been assumed so far.

Adsorption modes of molecular iodine on defected boron nitrides: A DFT study

2018 ◽  
Vol 434 ◽  
pp. 604-612 ◽  
Author(s):  
Masoud Arabieh ◽  
Yavar Taghipour Azar
Keyword(s):  
Molecular Iodine ◽  
Dft Study ◽  
Boron Nitrides
Sign in / Sign up

Export Citation Format

Share Document