Degradation of the transition metal@Pt core–shell nanoparticle catalyst: a DFT study

2020 ◽  
Vol 22 (17) ◽  
pp. 9467-9476 ◽  
Author(s):  
Lu Li ◽  
Hong xin Ma ◽  
Xiao dong Jian ◽  
Ping Qian ◽  
Yan jing Su
Keyword(s):  
Transition Metal ◽  
Dft Study ◽  
Core Shell ◽  
Acidic Media ◽  
Thermodynamic Processes ◽  
Nanoparticle Catalyst

Electrocatalysts in acidic media face the issues of inactivation and degradation with complex thermodynamic processes.

Endo- and exohedral chloro-fulleride as η5 ligands: A DFT study on the first-row transition metal complexes

2021 ◽  
Author(s):  
Sebastian Anila ◽  
Cherumuttathu Hariharan Suresh
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Dft Study ◽  
C60 Fullerene ◽  
Ring Fusion ◽  
Coordination Modes

C60 fullerene coordinates to transition metals in η2-fashion through its C-C bond at [6,6] ring fusion whereas other coordination modes η3, η4, η5 and η6 are rarely observed. The coordination...

scholarly journals Correction: Topology of transition metal dichalcogenides: the case of the core–shell architecture

Nanoscale ◽  
2021 ◽  
Author(s):  
Jennifer G. DiStefano ◽  
Akshay A. Murthy ◽  
Shiqiang Hao ◽  
Roberto dos Reis ◽  
Chris Wolverton ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transition Metal Dichalcogenides ◽  
Core Shell ◽  
The Core ◽  
Metal Dichalcogenides

Correction for ‘Topology of transition metal dichalcogenides: the case of the core–shell architecture’ by Jennifer G. DiStefano et al., Nanoscale, 2020, 12, 23897–23919, DOI: 10.1039/D0NR06660E.

Fe@Pt core-shell nanoparticles as electrocatalyst for oxygen reduction reaction in acidic media

Ionics ◽  
2017 ◽  
Vol 24 (1) ◽  
pp. 229-236 ◽  
Author(s):  
Yanli Huang ◽  
Zhan Tan ◽  
Huimin Wu ◽  
Chuanqi Feng ◽  
Yu Ding
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Core Shell ◽  
Acidic Media ◽  
Shell Nanoparticles ◽  
Core Shell Nanoparticles

Relativistic DFT Study on the Reaction Mechanism of Second-Row Transition Metal Ru with CO2

2006 ◽  
Vol 110 (10) ◽  
pp. 3552-3558 ◽  
Author(s):  
Xian-Yang Chen ◽  
Yi-Xin Zhao ◽  
Shu-Guang Wang
Keyword(s):  
Reaction Mechanism ◽  
Transition Metal ◽  
Dft Study ◽  
Relativistic Dft

Ternary core-shell structured transition metal chalcogenide for hybrid electrochemical capacitor

2018 ◽  
Vol 29 (12) ◽  
pp. 1799-1803 ◽  
Author(s):  
Hengqi Liu ◽  
Depeng Zhao ◽  
Pengfei Hu ◽  
Xiang Wu
Keyword(s):  
Transition Metal ◽  
Electrochemical Capacitor ◽  
Core Shell ◽  
Metal Chalcogenide

Li-insertion Behavior in NanocrystallineTiO2-(MoO3)z Core-Shell Materials

2000 ◽  
Vol 658 ◽  
Author(s):  
Gregory J. Moore ◽  
Dominique Guyomard ◽  
Scott H. Elder
Keyword(s):  
Transition Metal ◽  
Surface Charge ◽  
Double Layer ◽  
Single Phase ◽  
Inductive Effect ◽  
Core Shell ◽  
Fundamental Study ◽  
The Core ◽  
Single Phase Material

ABSTRACTA fundamental study of the Li insertion behavior of a series of materials consisting of a TiO2 core having MoO3 on the surface has been carried out in order to determine the influence of the shell. These TiO2-(MoO3)z materials, where (z) denotes the fraction of coverage from a partial to a double layer, range in diameter from 40-100 Å. Calculations have been done on their theoretical lithium capacity using a maximum of Li0.5TiO2 for the core, and Li1.5MoO3 at the TiO2/MoO3 interface, and they have been compared to that found experimentally. The reversible Li-insertion capacity was shown to increase from 0.34 per Ti for the pure TiO2 sample, to 0.91 Li per transition metal when the MoO3 coverage increased to one monolayer. There was only one plateau observed in the electrochemical scans for the samples showing that they function as a single-phase material making them interesting for electrodes. The redox voltage of the TiO2/Li0.5TiO2 biphasic transformation increased 60 mV from the pure TiO2 to the sample containing one monolayer of MoO3. This effect was interpreted as due to a change in TiO2 surface charge coming from an inductive effect of Ti-O-Mo bonds.

Emerging core-shell nanostructured catalysts of transition metal encapsulated by two-dimensional carbon materials for electrochemical applications

Nano Today ◽  
2018 ◽  
Vol 22 ◽  
pp. 100-131 ◽  
Author(s):  
Duy Thanh Tran ◽  
Tolendra Kshetri ◽  
Nguyen Dinh Chuong ◽  
Jagadis Gautam ◽  
Hoa Van Hien ◽  
...  
Keyword(s):  
Transition Metal ◽  
Carbon Materials ◽  
Nanostructured Catalysts ◽  
Core Shell ◽  
Two Dimensional ◽  
Electrochemical Applications
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