Artificial Photosynthesis: Is Computation Ready for the Challenge Ahead?
A tremendous effort is currently devoted to the generation of novel hybrid materials with enhanced electronic properties for the creation of artificial photosynthetic systems. This compelling and challenging problem is well-defined from an experimental point of view, as the design of such materials...
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-01-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/11/2/299 |
| _version_ | 1797407822000947200 |
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| author | Silvio Osella |
| author_facet | Silvio Osella |
| author_sort | Silvio Osella |
| collection | DOAJ |
| description | A tremendous effort is currently devoted to the generation of novel hybrid materials with enhanced electronic properties for the creation of artificial photosynthetic systems. This compelling and challenging problem is well-defined from an experimental point of view, as the design of such materials relies on combining organic materials or metals with biological systems like light harvesting and redox-active proteins. Such hybrid systems can be used, e.g., as bio-sensors, bio-fuel cells, biohybrid photoelectrochemical cells, and nanostructured photoelectronic devices. Despite these efforts, the main bottleneck is the formation of efficient interfaces between the biological and the organic/metal counterparts for efficient electron transfer (ET). It is within this aspect that computation can make the difference and improve the current understanding of the mechanisms underneath the interface formation and the charge transfer efficiency. Yet, the systems considered (i.e., light harvesting protein, self-assembly monolayer and surface assembly) are more and more complex, reaching (and often passing) the limit of current computation power. In this review, recent developments in computational methods for studying complex interfaces for artificial photosynthesis will be provided and selected cases discussed, to assess the inherent ability of computation to leave a mark in this field of research. |
| first_indexed | 2024-03-09T03:48:12Z |
| format | Article |
| id | doaj.art-3e0c99c1835540dfb5b48fd455e4f93d |
| institution | Directory Open Access Journal |
| issn | 2079-4991 |
| language | English |
| last_indexed | 2024-03-09T03:48:12Z |
| publishDate | 2021-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Nanomaterials |
| spelling | doaj.art-3e0c99c1835540dfb5b48fd455e4f93d2023-12-03T14:31:28ZengMDPI AGNanomaterials2079-49912021-01-0111229910.3390/nano11020299Artificial Photosynthesis: Is Computation Ready for the Challenge Ahead?Silvio Osella0Chemical and Biological Systems Simulation Lab, Center of New Technologies, University of Warsaw, Banacha 2C, 02-097 Warsaw, PolandA tremendous effort is currently devoted to the generation of novel hybrid materials with enhanced electronic properties for the creation of artificial photosynthetic systems. This compelling and challenging problem is well-defined from an experimental point of view, as the design of such materials relies on combining organic materials or metals with biological systems like light harvesting and redox-active proteins. Such hybrid systems can be used, e.g., as bio-sensors, bio-fuel cells, biohybrid photoelectrochemical cells, and nanostructured photoelectronic devices. Despite these efforts, the main bottleneck is the formation of efficient interfaces between the biological and the organic/metal counterparts for efficient electron transfer (ET). It is within this aspect that computation can make the difference and improve the current understanding of the mechanisms underneath the interface formation and the charge transfer efficiency. Yet, the systems considered (i.e., light harvesting protein, self-assembly monolayer and surface assembly) are more and more complex, reaching (and often passing) the limit of current computation power. In this review, recent developments in computational methods for studying complex interfaces for artificial photosynthesis will be provided and selected cases discussed, to assess the inherent ability of computation to leave a mark in this field of research.https://www.mdpi.com/2079-4991/11/2/299multiscale computationelectron transferlight harvesting |
| spellingShingle | Silvio Osella Artificial Photosynthesis: Is Computation Ready for the Challenge Ahead? Nanomaterials multiscale computation electron transfer light harvesting |
| title | Artificial Photosynthesis: Is Computation Ready for the Challenge Ahead? |
| title_full | Artificial Photosynthesis: Is Computation Ready for the Challenge Ahead? |
| title_fullStr | Artificial Photosynthesis: Is Computation Ready for the Challenge Ahead? |
| title_full_unstemmed | Artificial Photosynthesis: Is Computation Ready for the Challenge Ahead? |
| title_short | Artificial Photosynthesis: Is Computation Ready for the Challenge Ahead? |
| title_sort | artificial photosynthesis is computation ready for the challenge ahead |
| topic | multiscale computation electron transfer light harvesting |
| url | https://www.mdpi.com/2079-4991/11/2/299 |
| work_keys_str_mv | AT silvioosella artificialphotosynthesisiscomputationreadyforthechallengeahead |