Mechanistic Insight into Formate Production via CO2 Reduction in C–C Coupled Carbon Nanotube Molecular Junctions
| Autor: | Sumit Bawari, Tharangattu N. Narayanan, Mihir Ranjan Sahoo, Saroj K. Nayak, D. Krishna Rao, Amlan J. Pal, Biswajit Kundu, Shubhadeep Pal, Sreekanth Narayanaru |
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| Rok vydání: | 2018 |
| Předmět: |
Materials science
Local density of states 02 engineering and technology Carbon nanotube 010402 general chemistry 021001 nanoscience & nanotechnology Electrochemistry 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials law.invention chemistry.chemical_compound General Energy chemistry Chemical engineering law Reversible hydrogen electrode Formate Density functional theory Physical and Theoretical Chemistry Scanning tunneling microscope 0210 nano-technology Electronic band structure |
| Zdroj: | The Journal of Physical Chemistry C. 122:23385-23392 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.8b08933 |
| Popis: | Electronic band structure modification of carbon nanotubes (CNTs) through Suzuki coupling has been predicted recently. Here, scanning tunneling microscopy/spectroscopy studies of a molecular junction developed through C–C coupled CNTs are conducted to probe the local density of states variation along the junction, and the distorted band structure of CNT at the junction is unraveled, in agreement with the predictions. The band structure modification aided by charge transfer, among CNTs and C6H4 in the junction, helps to achieve a more efficient *COOH adsorption in coupled CNTs (CCNTs) than in pristine CNTs, proven via density functional theory-based calculations. This indicates the possibilities of CCNT-based electrochemical CO2 reduction. Formate production at low potential (−0.9 V vs reversible hydrogen electrode) in neutral pH (6.8) is demonstrated with CCNT, while no formic acid production is observed in uncoupled CNTs. This study opens a fundamental insight into the development of novel catalysts base... |
| Databáze: | OpenAIRE |
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