Do Transition Metal Carbonates Have Greater Lithium Storage Capability Than Oxides? A Case Study of Monodisperse CoCO3 and CoO Microspindles

2014 ◽  
Vol 6 (15) ◽  
pp. 12346-12352 ◽  
Author(s):  
Lianbang Wang ◽  
Weijie Tang ◽  
Yu Jing ◽  
Liwei Su ◽  
Zhen Zhou
Keyword(s):  
Transition Metal ◽  
Lithium Storage ◽  
Metal Carbonates

Tuning Transition Metal Carbides Activity by Surface Metal Alloying: Case Study on CO2 Capture and Activation

2018 ◽  
Author(s):  
Marti Lopez ◽  
Luke Broderick ◽  
John J Carey ◽  
Francesc Vines ◽  
Michael Nolan ◽  
...  
Keyword(s):  
Transition Metal ◽  
Co2 Capture ◽  
Density Functional ◽  
Deep Understanding ◽  
Metal Carbides ◽  
Transition Metal Carbides ◽  
Adsorption Sites ◽  
Surface Metal ◽  
A Minor

<div>CO2 is one of the main actors in the greenhouse effect and its removal from the atmosphere is becoming an urgent need. Thus, CO2 capture and storage (CCS) and CO2 capture and usage (CCU) technologies are intensively investigated as technologies to decrease the concentration</div><div>of atmospheric CO2. Both CCS and CCU require appropriate materials to adsorb/release and adsorb/activate CO2, respectively. Recently, it has been theoretically and experimentally shown that transition metal carbides (TMC) are able to capture, store, and activate CO2. To further improve the adsorption capacity of these materials, a deep understanding of the atomic level processes involved is essential. In the present work, we theoretically investigate the possible effects of surface metal doping of these TMCs by taking TiC as a textbook case and Cr, Hf, Mo, Nb, Ta, V, W, and Zr as dopants. Using periodic slab models with large</div><div>supercells and state-of-the-art density functional theory based calculations we show that CO2 adsorption is enhanced by doping with metals down a group but worsened along the d series. Adsorption sites, dispersion and coverage appear to play a minor, secondary constant effect. The dopant-induced adsorption enhancement is highly biased by the charge rearrangement at the surface. In all cases, CO2 activation is found but doping can shift the desorption temperature by up to 135 K.</div>

scholarly journals Predicting the Effect of Dopants on CO2 Adsorption in Transition Metal Carbides: Case Study on TiC (001)

2020 ◽  
Vol 124 (29) ◽  
pp. 15969-15976 ◽  
Author(s):  
Martí López ◽  
Francesc Viñes ◽  
Michael Nolan ◽  
Francesc Illas
Keyword(s):  
Transition Metal ◽  
Co2 Adsorption ◽  
Metal Carbides ◽  
Transition Metal Carbides

A facile approach toward transition metal oxide hierarchical structures and their lithium storage properties

Nanoscale ◽  
2012 ◽  
Vol 4 (12) ◽  
pp. 3718 ◽  
Author(s):  
Cuimiao Zhang ◽  
Jing Chen ◽  
Yi Zeng ◽  
Xianhong Rui ◽  
Jixin Zhu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Oxide ◽  
Hierarchical Structures ◽  
Transition Metal Oxide ◽  
Lithium Storage ◽  
Storage Properties

Cd doped FeSe Nanoparticles Embedded in N-doped Carbon: A Potential Anode Material for Lithium Storage

2021 ◽  
Author(s):  
Li Hou ◽  
Xiuyan Meng ◽  
Shuolei Deng ◽  
Liang Feng ◽  
Yang Jiang ◽  
...  
Keyword(s):  
Transition Metal ◽  
Anode Material ◽  
Specific Capacity ◽  
Lithium Storage ◽  
Rapid Decay ◽  
Fast Charging ◽  
Metal Selenides

Transition metal selenides have become the focus of research in recent years, due to their large specific capacity and fast charging/discharging speed. However, the rapid decay of specific capacity for...

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