| Title |
Modelling materials for solar fuel synthesis by artificial photosynthesis; predicting the optical, electronic and redox properties of photocatalysts
|
|---|---|
| Published in |
Journal of Physics: Condensed Matter, January 2016
|
| DOI | 10.1088/0953-8984/28/7/074001 |
| Pubmed ID | |
| Authors |
Pierre Guiglion, Enrico Berardo, Cristina Butchosa, Milena C C Wobbe, Martijn A Zwijnenburg |
| Abstract |
In this mini-review, we discuss what insight computational modelling can provide into the working of photocatalysts for solar fuel synthesis and how calculations can be used to screen for new promising materials for photocatalytic water splitting and carbon dioxide reduction. We will extensively discuss the different relevant (material) properties and the computational approaches (DFT, TD-DFT, GW/BSE) available to model them. We illustrate this with examples from the literature, focussing on polymeric and nanoparticle photocatalysts. We finish with a perspective on the outstanding conceptual and computational challenges. |
X Demographics
The data shown below were collected from the profiles of 11 X users who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| United Kingdom | 5 | 45% |
| Korea, Republic of | 1 | 9% |
| Belgium | 1 | 9% |
| Unknown | 4 | 36% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Scientists | 8 | 73% |
| Members of the public | 3 | 27% |
Mendeley readers
The data shown below were compiled from readership statistics for 52 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Saudi Arabia | 2 | 4% |
| Germany | 1 | 2% |
| United Kingdom | 1 | 2% |
| Unknown | 48 | 92% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 13 | 25% |
| Researcher | 10 | 19% |
| Student > Master | 7 | 13% |
| Student > Bachelor | 4 | 8% |
| Student > Postgraduate | 4 | 8% |
| Other | 11 | 21% |
| Unknown | 3 | 6% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 27 | 52% |
| Materials Science | 7 | 13% |
| Engineering | 4 | 8% |
| Physics and Astronomy | 3 | 6% |
| Chemical Engineering | 3 | 6% |
| Other | 1 | 2% |
| Unknown | 7 | 13% |
Attention Score in Context
This research output has an Altmetric Attention Score of 6. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 13 February 2017.
All research outputs
#6,212,618
of 25,374,917 outputs
Outputs from Journal of Physics: Condensed Matter
#497
of 6,154 outputs
Outputs of similar age
#92,399
of 405,662 outputs
Outputs of similar age from Journal of Physics: Condensed Matter
#5
of 100 outputs
Altmetric has tracked 25,374,917 research outputs across all sources so far. Compared to these this one has done well and is in the 75th percentile: it's in the top 25% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 6,154 research outputs from this source. They receive a mean Attention Score of 2.0. This one has done particularly well, scoring higher than 91% of its peers.
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We're also able to compare this research output to 100 others from the same source and published within six weeks on either side of this one. This one has done particularly well, scoring higher than 95% of its contemporaries.