Ultrasmall Au nanocatalysts supported on nitrided carbon for electrocatalytic CO2 reduction: the role of the carbon support in high selectivity

Nanoscale ◽  
2018 ◽  
Vol 10 (30) ◽  
pp. 14678-14686 ◽  
Author(s):  
Lei Jin ◽  
Ben Liu ◽  
Pu Wang ◽  
Huiqin Yao ◽  
Laura A. Achola ◽  
...  

Ultrasmall Au nanocatalysts supported on nitrided carbon show superior mass activity and high selectivity for CO2 electrochemical reduction as a result of the synergy of nitrogen sites of the carbon and electron-rich Au surface.

2019 ◽  
Vol 7 (28) ◽  
pp. 16954-16961 ◽  
Author(s):  
Shangqian Zhu ◽  
Xueping Qin ◽  
Qi Wang ◽  
Tiehuai Li ◽  
Ran Tao ◽  
...  

Au–Pd core–shell nanoparticles can convert CO2 into CO with a high selectivity and mass activity due to the more balanced *COOH/*CO adsorption.


2019 ◽  
Author(s):  
Sahithi Ananthaneni ◽  
Rees Rankin

<div>Electrochemical reduction of CO2 to useful chemical and fuels in an energy efficient way is currently an expensive and inefficient process. Recently, low-cost transition metal-carbides (TMCs) are proven to exhibit similar electronic structure similarities to Platinum-Group-Metal (PGM) catalysts and hence can be good substitutes for some important reduction reactions. In this work, we test graphenesupported WC (Tungsten Carbide) nanocluster as an electrocatalyst for the CO2 reduction reaction. Specifically, we perform DFT studies to understand various possible reaction mechanisms and determine the lowest thermodynamic energy landscape of CO2 reduction to various products such as CO, HCOOH, CH3OH, and CH4. This in-depth study of reaction energetics could lead to improvements and develop more efficient electrocatalysts for CO2 reduction.<br></div>


Catalysts ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 271
Author(s):  
Nisa Ulumuddin ◽  
Fanglin Che ◽  
Jung-Il Yang ◽  
Su Ha ◽  
Jean-Sabin McEwen

Despite its high thermodynamic stability, the presence of a negative electric field is known to facilitate the activation of CO2 through electrostatic effects. To utilize electric fields for a reverse water gas shift reaction, it is critical to elucidate the role of an electric field on a catalyst surface toward activating a CO2 molecule. We conduct a first-principles study to gain an atomic and electronic description of adsorbed CO2 on YSZ (111) surfaces when external electric fields of +1 V/Å, 0 V/Å, and −1 V/Å are applied. We find that the application of an external electric field generally destabilizes oxide bonds, where the direction of the field affects the location of the most favorable oxygen vacancy. The direction of the field also drastically impacts how CO2 adsorbs on the surface. CO2 is bound by physisorption when a +1 V/Å field is applied, a similar interaction as to how it is adsorbed in the absence of a field. This interaction changes to chemisorption when the surface is exposed to a −1 V/Å field value, resulting in the formation of a CO3− complex. The strong interaction is reflected through a direct charge transfer and an orbital splitting within the Olatticep-states. While CO2 remains physisorbed when a +1 V/Å field value is applied, our total density of states analysis indicates that a positive field pulls the charge away from the adsorbate, resulting in a shift of its bonding and antibonding peaks to higher energies, allowing a stronger interaction with YSZ (111). Ultimately, the effect of an electric field toward CO2 adsorption is not negligible, and there is potential in utilizing electric fields to favor the thermodynamics of CO2 reduction on heterogeneous catalysts.


Author(s):  
Dui Ma ◽  
Ting Jin ◽  
Keyu Xie ◽  
Haitao Huang

Converting CO2 into value-added fuels or chemical feedstocks through electrochemical reduction is one of the several promising avenues to reduce atmospheric carbon dioxide levels and alleviate global warming. This approach...


2020 ◽  
Vol 40 ◽  
pp. 156-170 ◽  
Author(s):  
Ping Shao ◽  
Luocai Yi ◽  
Shumei Chen ◽  
Tianhua Zhou ◽  
Jian Zhang

Author(s):  
Xu Hu ◽  
Sai Yao ◽  
Letian Chen ◽  
Xu Zhang ◽  
Menggai Jiao ◽  
...  

Electrochemical CO2 reduction reaction (CO2RR) is a very important approach to realize sustainable development. Single-atom catalysts show advantages in both homogeneous and heterogeneous catalysis, and considerable progress has been made...


Author(s):  
Mengran Li ◽  
Mohamed Nazmi Idros ◽  
Yuming Wu ◽  
Thomas Burdyny ◽  
Sahil Garg ◽  
...  

The electrochemical reduction of carbon dioxide (CO2RR) requires access to ample gaseous CO2 and liquid water to fuel reactions at high current densities for industrial-scale. Substantial improvement of the CO2RR...


2020 ◽  
Vol 117 (37) ◽  
pp. 22690-22697 ◽  
Author(s):  
M. R. W. Scheepers ◽  
L. J. van IJzendoorn ◽  
M. W. J. Prins

Targeted drug delivery critically depends on the binding selectivity of cargo-transporting colloidal particles. Extensive theoretical work has shown that two factors are necessary to achieve high selectivity for a threshold receptor density: multivalency and weak interactions. Here, we study a model system of DNA-coated particles with multivalent and weak interactions that mimics ligand–receptor interactions between particles and cells. Using an optomagnetic cluster experiment, particle aggregation rates are measured as a function of ligand and receptor densities. The measured aggregation rates show that the binding becomes more selective for shorter DNA ligand–receptor pairs, proving that multivalent weak interactions lead to enhanced selectivity in interparticle binding. Simulations confirm the experimental findings and show the role of ligand–receptor dissociation in the selectivity of the weak multivalent binding.


2019 ◽  
Vol 244 ◽  
pp. 1013-1020 ◽  
Author(s):  
Hong Pang ◽  
Xianguang Meng ◽  
Hui Song ◽  
Wei Zhou ◽  
Gaoliang Yang ◽  
...  

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