FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4200506799> ?p ?o ?g. }

• W4200506799 endingPage "1014" @default.
• W4200506799 startingPage "1002" @default.
• W4200506799 abstract "Developing efficient and inexpensive main group catalysts for CO2 conversion and utilization has attracted increasing attention, as the conversion process would be both economical and environmentally benign. Here, based on the main group element Al, we designed several heterogeneous frustrated Lewis acid/base pair (FLP) catalysts and performed extensive first-principles calculations for the hydrogenation of CO2. These catalysts, including Al@N-Gr-1, Al@N-Gr-2, and Al@C2N, are composed of a single Al atom and two-dimensional (2D) N-doped carbon-based materials to form frustrated Al/C or Al/N Lewis acid/base pairs, which are all predicted to have high reactivity to absorb and activate hydrogen (H2). Compared with Al@N-Gr-1, both Al@N-Gr-2 and Al@C2N, especially Al@N-Gr-2, containing Al/N Lewis pairs exhibit better catalytic activity for CO2 hydrogenation with lower activation energies. CO2 hydrogenation on the three catalysts prefers to go through a three-step mechanism, i.e., the heterolytic dissociation of H2, followed by the transfer of the hydride near Al to CO2, and finally the activation of a second H2 molecule. Other IIIA group element (B and Ga)-embedded N-Gr-2 materials (B@N-Gr-2 and Ga@N-Gr-2) were also explored and compared. Both Al@N-Gr-2 and Ga@N-Gr-2 show higher catalytic activity for CO2 hydrogenation to HCOOH than B@N-Gr-2. However, the CO2 hydrogenation path on Ga@N-Gr-2 tends to follow a two-step mechanism, including H2 dissociation and subsequent hydrogen transfer. The present study provides a potential solution for CO2 hydrogenation by designing novel and effective FLP catalysts based on main group elements." @default.
• W4200506799 created "2021-12-31" @default.
• W4200506799 creator A5010776860 @default.
• W4200506799 creator A5011717029 @default.
• W4200506799 creator A5018002453 @default.
• W4200506799 date "2021-12-22" @default.
• W4200506799 modified "2023-10-16" @default.
• W4200506799 title "Rational Design of Main Group Metal-Embedded Nitrogen-Doped Carbon Materials as Frustrated Lewis Pair Catalysts for CO₂ Hydrogenation to Formic Acid" @default.
• W4200506799 cites W1964733002 @default.
• W4200506799 cites W1979736846 @default.
• W4200506799 cites W1981368803 @default.
• W4200506799 cites W1987004950 @default.
• W4200506799 cites W1991794210 @default.
• W4200506799 cites W1994567008 @default.
• W4200506799 cites W2004751437 @default.
• W4200506799 cites W2015396704 @default.
• W4200506799 cites W2017196167 @default.
• W4200506799 cites W2022085321 @default.
• W4200506799 cites W2027229007 @default.
• W4200506799 cites W2031430816 @default.
• W4200506799 cites W2037935642 @default.
• W4200506799 cites W2078719339 @default.
• W4200506799 cites W2083222334 @default.
• W4200506799 cites W2087698390 @default.
• W4200506799 cites W2092157292 @default.
• W4200506799 cites W2105580122 @default.
• W4200506799 cites W2122427541 @default.
• W4200506799 cites W2134716155 @default.
• W4200506799 cites W2143453620 @default.
• W4200506799 cites W2154968734 @default.
• W4200506799 cites W2161016503 @default.
• W4200506799 cites W2176007166 @default.
• W4200506799 cites W2201132181 @default.
• W4200506799 cites W2330514101 @default.
• W4200506799 cites W2343203850 @default.
• W4200506799 cites W2400871630 @default.
• W4200506799 cites W2518085510 @default.
• W4200506799 cites W2560695994 @default.
• W4200506799 cites W2576621449 @default.
• W4200506799 cites W2620426470 @default.
• W4200506799 cites W2653674533 @default.
• W4200506799 cites W2725648806 @default.
• W4200506799 cites W2737648422 @default.
• W4200506799 cites W2786051018 @default.
• W4200506799 cites W2791415717 @default.
• W4200506799 cites W2792610397 @default.
• W4200506799 cites W2805368818 @default.
• W4200506799 cites W2900047492 @default.
• W4200506799 cites W2901471444 @default.
• W4200506799 cites W2901640375 @default.
• W4200506799 cites W2905261449 @default.
• W4200506799 cites W2906691495 @default.
• W4200506799 cites W2906878085 @default.
• W4200506799 cites W2913783103 @default.
• W4200506799 cites W2914276031 @default.
• W4200506799 cites W2937040959 @default.
• W4200506799 cites W2940509033 @default.
• W4200506799 cites W2945558287 @default.
• W4200506799 cites W2954537162 @default.
• W4200506799 cites W2966990676 @default.
• W4200506799 cites W2967030928 @default.
• W4200506799 cites W2967806598 @default.
• W4200506799 cites W2972231937 @default.
• W4200506799 cites W2972653254 @default.
• W4200506799 cites W2980289438 @default.
• W4200506799 cites W3006891031 @default.
• W4200506799 cites W3007729030 @default.
• W4200506799 cites W3013418107 @default.
• W4200506799 cites W3035465173 @default.
• W4200506799 cites W3045981088 @default.
• W4200506799 cites W3081434038 @default.
• W4200506799 cites W3091797918 @default.
• W4200506799 cites W3097099078 @default.
• W4200506799 cites W3107325597 @default.
• W4200506799 cites W3108606708 @default.
• W4200506799 cites W3110813178 @default.
• W4200506799 cites W3117870709 @default.
• W4200506799 cites W3128559496 @default.
• W4200506799 cites W3131883609 @default.
• W4200506799 cites W3134051900 @default.
• W4200506799 cites W3155986949 @default.
• W4200506799 cites W3174441580 @default.
• W4200506799 cites W3177097638 @default.
• W4200506799 cites W3190299790 @default.
• W4200506799 cites W3204813308 @default.
• W4200506799 cites W4233998925 @default.
• W4200506799 cites W4243543508 @default.
• W4200506799 doi "https://doi.org/10.1021/acsami.1c20230" @default.
• W4200506799 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34935336" @default.
• W4200506799 hasPublicationYear "2021" @default.
• W4200506799 type Work @default.
• W4200506799 citedByCount "13" @default.
• W4200506799 countsByYear W42005067992022 @default.
• W4200506799 countsByYear W42005067992023 @default.
• W4200506799 crossrefType "journal-article" @default.
• W4200506799 hasAuthorship W4200506799A5010776860 @default.
• W4200506799 hasAuthorship W4200506799A5011717029 @default.
• W4200506799 hasAuthorship W4200506799A5018002453 @default.

• next