scholarly journals Impacts of the Catalyst Structures on CO2 Activation on Catalyst Surfaces

Nanomaterials ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 3265
Author(s):  
Ubong J. Etim ◽  
Chenchen Zhang ◽  
Ziyi Zhong
Keyword(s):  
Active Sites ◽  
Oxygen Vacancies ◽  
Surface Defect ◽  
Co2 Activation ◽  
Structural Factors ◽  
Adsorption Sites ◽  
Defect Sites ◽  
Catalytic Sites ◽  
Co2 Transformation ◽  
Catalyst Surfaces

Utilizing CO2 as a sustainable carbon source to form valuable products requires activating it by active sites on catalyst surfaces. These active sites are usually in or below the nanometer scale. Some metals and metal oxides can catalyze the CO2 transformation reactions. On metal oxide-based catalysts, CO2 transformations are promoted significantly in the presence of surface oxygen vacancies or surface defect sites. Electrons transferable to the neutral CO2 molecule can be enriched on oxygen vacancies, which can also act as CO2 adsorption sites. CO2 activation is also possible without necessarily transferring electrons by tailoring catalytic sites that promote interactions at an appropriate energy level alignment of the catalyst and CO2 molecule. This review discusses CO2 activation on various catalysts, particularly the impacts of various structural factors, such as oxygen vacancies, on CO2 activation.

scholarly journals Insights on forming N,O-coordinated Cu single-atom catalysts for electrochemical reduction CO2 to methane

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yanming Cai ◽  
Jiaju Fu ◽  
Yang Zhou ◽  
Yu-Chung Chang ◽  
Qianhao Min ◽  
...  
Keyword(s):  
Energy Barrier ◽  
Active Sites ◽  
Theoretical Calculations ◽  
High Energy ◽  
Single Atom ◽  
Faradaic Efficiency ◽  
High Energy Barrier ◽  
Catalytic Sites ◽  
Electron Reduction ◽  
First Time

AbstractSingle-atom catalysts (SACs) are promising candidates to catalyze electrochemical CO2 reduction (ECR) due to maximized atomic utilization. However, products are usually limited to CO instead of hydrocarbons or oxygenates due to unfavorable high energy barrier for further electron transfer on synthesized single atom catalytic sites. Here we report a novel partial-carbonization strategy to modify the electronic structures of center atoms on SACs for lowering the overall endothermic energy of key intermediates. A carbon-dots-based SAC margined with unique CuN2O2 sites was synthesized for the first time. The introduction of oxygen ligands brings remarkably high Faradaic efficiency (78%) and selectivity (99% of ECR products) for electrochemical converting CO2 to CH4 with current density of 40 mA·cm-2 in aqueous electrolytes, surpassing most reported SACs which stop at two-electron reduction. Theoretical calculations further revealed that the high selectivity and activity on CuN2O2 active sites are due to the proper elevated CH4 and H2 energy barrier and fine-tuned electronic structure of Cu active sites.

scholarly journals Study on the adsorption selection of CH$$_4$$ on CuO (110) versus (111) surfaces: a density functional theory study

2021 ◽  
Vol 3 (4) ◽  
Author(s):  
Long Lin ◽  
Linwei Yao ◽  
Shaofei Li ◽  
Zhengguang Shi ◽  
Kun Xie ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Adsorption Capacity ◽  
Active Sites ◽  
Density Functional ◽  
Oxygen Vacancies ◽  
Density Functional Theory Calculations ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Strong Adsorption ◽  
Selection Of

AbstractFinding the active sites of suitable metal oxides is a key prerequisite for detecting CH$$_4$$ 4 . The purpose of the paper is to investigate the adsorption of CH$$_4$$ 4 on intrinsic and oxygen-vacancies CuO (111) and (110) surfaces using density functional theory calculations. The results show that CH$$_4$$ 4 has a strong adsorption energy of −0.370 to 0.391 eV at all site on the CuO (110) surface. The adsorption capacity of CH$$_4$$ 4 on CuO (111) surface is weak, ranging from −0.156 to −0.325 eV. In the surface containing oxygen vacancies, the adsorption capacity of CuO surface to CH$$_4$$ 4 is significantly stronger than that of intrinsic CuO surface. The results indicate that CuO (110) has strong adsorption and charge transfer capacity for CH$$_4$$ 4 , which may provide experimental guidance.

scholarly journals Phase-selective active sites on ordered/disordered titanium dioxide enable exceptional photocatalytic ammonia synthesis

2021 ◽  
Author(s):  
Jinsun Lee ◽  
Xinghui Liu ◽  
Ashwani Kumar ◽  
Yosep Hwang ◽  
Eunji Lee ◽  
...  
Keyword(s):  
Titanium Dioxide ◽  
Active Sites ◽  
Rational Design ◽  
Ammonia Synthesis ◽  
Reduction Reaction ◽  
Band Structures ◽  
Electronic Band ◽  
Defect Sites ◽  
Electronic Band Structures ◽  
Reaction Routes

This work highlights the importance of a rational design for more energetically suitable nitrogen reduction reaction routes and mechanisms by regulating the electronic band structures with phase-selective defect sites.

Engineering the Active Sites of Graphene Catalyst: From CO2 Activation to Activate Li-CO2 Batteries

ACS Nano ◽  
2021 ◽  
Author(s):  
Biao Chen ◽  
Dashuai Wang ◽  
Biao Zhang ◽  
Xiongwei Zhong ◽  
Yingqi Liu ◽  
...  
Keyword(s):  
Active Sites ◽  
Co2 Activation

Tuning electronic states of catalytic sites enhances SCR activity of hexagonal WO3by Mo framework substitution

2017 ◽  
Vol 7 (12) ◽  
pp. 2467-2473 ◽  
Author(s):  
Yaxin Chen ◽  
Zichenxi Dong ◽  
Zhiwei Huang ◽  
Meijuan Zhou ◽  
Jiayi Gao ◽  
...  
Keyword(s):  
Active Sites ◽  
Electronic States ◽  
Catalytic Sites ◽  
Catalytically Active

The electronic states of the catalytically active sites of HWO were tuned by Mo framework substitution.

scholarly journals Morphological and Elemental Investigations on Co–Fe–B–O Thin Films Deposited by Pulsed Laser Deposition for Alkaline Water Oxidation: Charge Exchange Efficiency as the Prevailing Factor in Comparison with the Adsorption Process

2021 ◽  
Author(s):  
Y. Popat ◽  
M. Orlandi ◽  
S. Gupta ◽  
N. Bazzanella ◽  
S. Pillai ◽  
...  
Keyword(s):  
Pulsed Laser Deposition ◽  
Water Oxidation ◽  
Active Sites ◽  
High Surface ◽  
Pulsed Laser ◽  
Industrial Applications ◽  
Active Species ◽  
Laser Deposition ◽  
Core Shell ◽  
Adsorption Sites

Abstract Mixed transition-metals oxide electrocatalysts have shown huge potential for electrochemical water oxidation due to their earth abundance, low cost and excellent electrocatalytic activity. Here we present Co–Fe–B–O coatings as oxygen evolution catalyst synthesized by Pulsed Laser Deposition (PLD) which provided flexibility to investigate the effect of morphology and structural transformation on the catalytic activity. As an unusual behaviour, nanomorphology of 3D-urchin-like particles assembled with crystallized CoFe2O4 nanowires, acquiring high surface area, displayed inferior performance as compared to core–shell particles with partially crystalline shell containing boron. The best electrochemical activity towards water oxidation in alkaline medium with an overpotential of 315 mV at 10 mA/cm2 along with a Tafel slope of 31.5 mV/dec was recorded with core–shell particle morphology. Systematic comparison with control samples highlighted the role of all the elements, with Co being the active element, boron prevents the complete oxidation of Co to form Co3+ active species (CoOOH), while Fe assists in reducing Co3+ to Co2+ so that these species are regenerated in the successive cycles. Thorough observation of results also indicates that the activity of the active sites play a dominating role in determining the performance of the electrocatalyst over the number of adsorption sites. The synthesized Co–Fe–B–O coatings displayed good stability and recyclability thereby showcasing potential for industrial applications. Graphic Abstract

scholarly journals Large-area printing of ferroelectric surface and super-domains for efficient solar water splitting

2020 ◽  
Author(s):  
Yu Tian ◽  
Yaqing Wei ◽  
Minghui Pei ◽  
Rongrong Cao ◽  
Zhenao Gu ◽  
...  
Keyword(s):  
Water Splitting ◽  
Electric Fields ◽  
Electronic Structures ◽  
Active Sites ◽  
Large Area ◽  
Solar Water Splitting ◽  
High Efficient ◽  
Catalytic Sites ◽  
Order Of Magnitude ◽  
Magnitude Increase

Abstract Surface electronic structures of the photoelectrodes determine the activity and efficiency of the photoelectrochemical water splitting, but the controls of their surface structures and interfacial chemical reactions remain challenging. Here, we use ferroelectric BiFeO3 as a model system to demonstrate an efficient and controllable water splitting reaction by large-area constructing the hydroxyls-bonded surface. The up-shift of band edge positions at this surface enables and enhances the interfacial holes and electrons transfer through the hydroxyl-active-sites, leading to simultaneously enhanced oxygen and hydrogen evolutions. Furthermore, printing of ferroelectric super-domains with microscale checkboard up/down electric fields separates the distribution of reduction/oxidation catalytic sites, enhancing the charge separation and giving rise to an order of magnitude increase of the photocurrent. This large-area printable ferroelectric surface and super-domains offer an alternative platform for controllable and high-efficient photocatalysis.

The protease MBTPS2 is an important regulator of several cellular processes, especially in health and sickness

2021 ◽  
Author(s):  
Moataz Dowaidar
Keyword(s):  
Active Sites ◽  
Peptide Bond ◽  
Cellular Processes ◽  
Disease States ◽  
Tremendous Progress ◽  
Catalytic Sites ◽  
Important Regulator ◽  
Catalytic Active Sites ◽  
Proteolytic Action ◽  
Health And Sickness

Since the identification of MBTPS2 in 1997, tremendous progress has been made in determining the protease's functions. The protease has developed from an element of the SREBP cleavage machinery to an important regulator of several cellular processes, especially in health and sickness. With this newfound information from biochemical and structural biology, S2P's proteolytic action through peptide bond hydrolysis can occur in the membrane, providing a conceptual framework for appreciating S2P's roles in other aspects, and showing that many other substrates rely on S2P for their survival. In addition, we discovered the identity of both of S2P's catalytic active sites, an essential finding as the activity of the proteolysis as well as the pathogenesis of MBTPS2-caused illnesses seems to be connected to the molecular and biochemical features of the catalytic sites. Additionally, MBTPS2 causes different diseases, possibly illustrating the pleiotropic nature of the protein. Also, while the ailments reported thus far are all due to mutations that cause MBTPS2 to lose function, other variants that cause MBTPS2 to be hyperactive have not been examined. Nevertheless, recognizing the related sickness pathomechanism is a challenge. Pursuing these challenging technical areas would most definitely enhance our understanding of MBTPS2 in disease states. MBTPS2 appears to be nearing the solution to many of the remaining fundamental questions surrounding the mechanism of its action, as well as being a therapeutic target for new therapies.

A mutually isolated nanodiamond/porous carbon nitride nanosheet hybrid with enriched active sites for promoted catalysis in styrene production

2020 ◽  
Vol 10 (4) ◽  
pp. 1048-1055 ◽  
Author(s):  
Guifang Ge ◽  
Xinwen Guo ◽  
Chunshan Song ◽  
Zhongkui Zhao
Keyword(s):  
Molten Salt ◽  
Energy Saving ◽  
Porous Carbon ◽  
Active Sites ◽  
Carbon Nitride ◽  
Catalytic Sites ◽  
Styrene Production

A mutually isolated nanodiamond/porous carbon nitride nanosheet hybrid with enriched catalytic sites is fabricated by a facile two-step molten salt-oxidation strategy, generating an excellent catalyst for clean and energy-saving styrene production.

scholarly journals Atomically dispersed nickel as coke-resistant active sites for methane dry reforming

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Mohcin Akri ◽  
Shu Zhao ◽  
Xiaoyu Li ◽  
Ketao Zang ◽  
Adam F. Lee ◽  
...  
Keyword(s):  
Active Sites ◽  
Large Scale ◽  
Low Cost ◽  
Coke Formation ◽  
Dry Reforming ◽  
Dry Reforming Of Methane ◽  
Highly Active ◽  
Catalytic Sites ◽  
Earth Abundant ◽  
Poor Stability

AbstractDry reforming of methane (DRM) is an attractive route to utilize CO2 as a chemical feedstock with which to convert CH4 into valuable syngas and simultaneously mitigate both greenhouse gases. Ni-based DRM catalysts are promising due to their high activity and low cost, but suffer from poor stability due to coke formation which has hindered their commercialization. Herein, we report that atomically dispersed Ni single atoms, stabilized by interaction with Ce-doped hydroxyapatite, are highly active and coke-resistant catalytic sites for DRM. Experimental and computational studies reveal that isolated Ni atoms are intrinsically coke-resistant due to their unique ability to only activate the first C-H bond in CH4, thus avoiding methane deep decomposition into carbon. This discovery offers new opportunities to develop large-scale DRM processes using earth abundant catalysts.

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