The DOI matches its Crossref record; 58 of the 58 references it cites were found in a registry or an index.
Accelerated Discovery of Organic Polymer Photocatalysts for Hydrogen Evolution from Water through the Integration of Experiment and Theory
Open accessAbstract
Abstract Conjugated polymers are an emerging class of photocatalysts for hydrogen production where the large breadth of potential synthetic diversity presents both an opportunity and a challenge. Here, we integrate robotic experimentation with high-throughput computation to navigate the available structure–property space. A total of 6354 co-polymers was considered computationally, followed by the synthesis and photocatalytic characterization of a sub-library of more than 170 co-polymers. This led to the discovery of new polymers with sacrificial hydrogen evolution rates (HERs) of more than 6 mmol g–1 h–1. The variation in HER across the library does not correlate strongly with any single physical property, but a machine-learning model involving four separate properties can successfully describe up to 68% of the variation in the HER data between the different polymers. The four variables used in the model were the predicted electron affinity, the predicted ionization potential, the optical gap, and the dispersibility of the polymer particles in solution, as measured by optical transmittance.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
XGBoost: A Scalable Tree Boosting System
Chen, T., & Guestrin, C. (2016) · Proceedings of the 22nd ACM SIGKDD International Conference on Knowledge Discovery and Data Mining · doi:10.1145/2939672.2939785 · Cited by 54,569
A metal-free polymeric photocatalyst for hydrogen production from water under visible light
Wang, X., Maeda, K., Thomas, A., Takanabe, K., Xin, G., Carlsson, J. M., Domen, K., & Antonietti, M. (2009) · Nature Materials · doi:10.1038/nmat2317 · Cited by 12,532
Heterogeneous photocatalyst materials for water splitting
Kudo, A., & Miseki, Y. (2009) · Chem. Soc. Rev. · doi:10.1039/b800489g · Cited by 10,585
Grimme, S., Bannwarth, C., & Shushkov, P. (2017) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.7b00118 · Cited by 2,022
Wang, X., Maeda, K., Chen, X., Takanabe, K., Domen, K., Hou, Y., Fu, X., & Antonietti, M. (2009) · Journal of the American Chemical Society · doi:10.1021/ja809307s · Cited by 1,809
Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water
Wang, X., Chen, L., Chong, S. Y., Little, M. A., Wu, Y., Zhu, W.-H., Clowes, R., Yan, Y., Zwijnenburg, M. A., Sprick, R. S., et al. (2018) · Nature Chemistry · doi:10.1038/s41557-018-0141-5 · Cited by 1,320
Self-citationA tunable azine covalent organic framework platform for visible light-induced hydrogen generation
Vyas, V. S., Haase, F., Stegbauer, L., Savasci, G., Podjaski, F., Ochsenfeld, C., & Lotsch, B. V. (2015) · Nature Communications · doi:10.1038/ncomms9508 · Cited by 1,263
A hydrazone-based covalent organic framework for photocatalytic hydrogen production
Stegbauer, L., Schwinghammer, K., & Lotsch, B. V. (2014) · Chem. Sci. · doi:10.1039/c4sc00016a · Cited by 1,145
Overall water splitting by Pt/g-C3N4photocatalysts without using sacrificial agents
Zhang, G., Lan, Z.-A., Lin, L., Lin, S., & Wang, X. (2016) · Chemical Science · doi:10.1039/c5sc04572j · Cited by 967
Kang, Y., Yang, Y., Yin, L., Kang, X., Liu, G., & Cheng, H. (2015) · Advanced Materials · doi:10.1002/adma.201501939 · Cited by 924
Diacetylene Functionalized Covalent Organic Framework (COF) for Photocatalytic Hydrogen Generation
Pachfule, P., Acharjya, A., Roeser, J., Langenhahn, T., Schwarze, M., Schomäcker, R., Thomas, A., & Schmidt, J. (2018) · Journal of the American Chemical Society · doi:10.1021/jacs.7b11255 · Cited by 909
Tunable Organic Photocatalysts for Visible-Light-Driven Hydrogen Evolution
Sprick, R. S., Jiang, J.-X., Bonillo, B., Ren, S., Ratvijitvech, T., Guiglion, P., Zwijnenburg, M. A., Adams, D. J., & Cooper, A. I. (2015) · Journal of the American Chemical Society · doi:10.1021/ja511552k · Cited by 896
Self-citationConjugated Polymers: Catalysts for Photocatalytic Hydrogen Evolution
Zhang, G., Lan, Z., & Wang, X. (2016) · Angewandte Chemie International Edition · doi:10.1002/anie.201607375 · Cited by 864
A review on g-C3N4 for photocatalytic water splitting and CO2 reduction
Ye, S., Wang, R., Wu, M.-Z., & Yuan, Y.-P. (2015) · Applied Surface Science · doi:10.1016/j.apsusc.2015.08.173 · Cited by 816
Zhang, G., Li, G., Lan, Z., Lin, L., Savateev, A., Heil, T., Zafeiratos, S., Wang, X., & Antonietti, M. (2017) · Angewandte Chemie International Edition · doi:10.1002/anie.201706870 · Cited by 742
Crystalline Carbon Nitride Nanosheets for Improved Visible-Light Hydrogen Evolution
Schwinghammer, K., Mesch, M. B., Duppel, V., Ziegler, C., Senker, J., & Lotsch, B. V. (2014) · Journal of the American Chemical Society · doi:10.1021/ja411321s · Cited by 694
Crystalline Carbon Nitride Semiconductors for Photocatalytic Water Splitting
Lin, L., Yu, Z., & Wang, X. (2019) · Angewandte Chemie International Edition · doi:10.1002/anie.201809897 · Cited by 647
Covalent Triazine Frameworks via a Low‐Temperature Polycondensation Approach
Wang, K., Yang, L., Wang, X., Guo, L., Cheng, G., Zhang, C., Jin, S., Tan, B., & Cooper, A. (2017) · Angewandte Chemie International Edition · doi:10.1002/anie.201708548 · Cited by 639
Self-citationVisible‐Light‐Driven Hydrogen Evolution Using Planarized Conjugated Polymer Photocatalysts
Sprick, R. S., Bonillo, B., Clowes, R., Guiglion, P., Brownbill, N. J., Slater, B. J., Blanc, F., Zwijnenburg, M. A., Adams, D. J., & Cooper, A. I. (2016) · Angewandte Chemie International Edition · doi:10.1002/anie.201510542 · Cited by 468
Self-citationTriazine‐based Carbon Nitrides for Visible‐Light‐Driven Hydrogen Evolution
Schwinghammer, K., Tuffy, B., Mesch, M. B., Wirnhier, E., Martineau, C., Taulelle, F., Schnick, W., Senker, J., & Lotsch, B. V. (2013) · Angewandte Chemie International Edition · doi:10.1002/anie.201206817 · Cited by 462
Li, L., Cai, Z., Wu, Q., Lo, W.-Y., Zhang, N., Chen, L. X., & Yu, L. (2016) · Journal of the American Chemical Society · doi:10.1021/jacs.6b03472 · Cited by 450
Weber, J., & Thomas, A. (2008) · Journal of the American Chemical Society · doi:10.1021/ja801691x · Cited by 435
Conjugated Microporous Polymer Nanosheets for Overall Water Splitting Using Visible Light
Wang, L., Wan, Y., Ding, Y., Wu, S., Zhang, Y., Zhang, X., Zhang, G., Xiong, Y., Wu, X., Yang, J., et al. (2017) · Advanced Materials · doi:10.1002/adma.201702428 · Cited by 424
Chen, X., Jun, Y.-S., Takanabe, K., Maeda, K., Domen, K., Fu, X., Antonietti, M., & Wang, X. (2009) · Chemistry of Materials · doi:10.1021/cm902130z · Cited by 421
Yang, C., Ma, B. C., Zhang, L., Lin, S., Ghasimi, S., Landfester, K., Zhang, K. A. I., & Wang, X. (2016) · Angewandte Chemie International Edition · doi:10.1002/anie.201603532 · Cited by 390
Crystalline Carbon Nitride Semiconductors for Photocatalytic Water Splitting
Lin, L., Yu, Z., & Wang, X. (2019) · Angewandte Chemie · doi:10.1002/ange.201809897 · Cited by 390
Guo, Y., Li, J., Yuan, Y., Li, L., Zhang, M., Zhou, C., & Lin, Z. (2016) · Angewandte Chemie International Edition · doi:10.1002/anie.201608453 · Cited by 388
Microwave‐Assisted Polymer Synthesis: Recent Developments in a Rapidly Expanding Field of Research
Hoogenboom, R., & Schubert, U. S. (2007) · Macromolecular Rapid Communications · doi:10.1002/marc.200600749 · Cited by 377
Sachs, M., Sprick, R. S., Pearce, D., Hillman, S. A. J., Monti, A., Guilbert, A. A. Y., Brownbill, N. J., Dimitrov, S., Shi, X., Blanc, F., et al. (2018) · Nature Communications · doi:10.1038/s41467-018-07420-6 · Cited by 364
Self-citationBhunia, M. K., Yamauchi, K., & Takanabe, K. (2014) · Angewandte Chemie International Edition · doi:10.1002/anie.201405161 · Cited by 345
Poly(p-phenylene)-catalysed photoreduction of water to hydrogen
Yanagida, S., Kabumoto, A., Mizumoto, K., Pac, C., & Yoshino, K. (1985) · Journal of the Chemical Society, Chemical Communications · doi:10.1039/c39850000474 · Cited by 315
Guo, Y., Li, J., Yuan, Y., Li, L., Zhang, M., Zhou, C., & Lin, Z. (2016) · Angewandte Chemie · doi:10.1002/ange.201608453 · Cited by 292
Xu, Y., Mao, N., Zhang, C., Wang, X., Zeng, J., Chen, Y., Wang, F., & Jiang, J.-X. (2018) · Applied Catalysis B: Environmental · doi:10.1016/j.apcatb.2018.01.073 · Cited by 290
Covalent Triazine‐Based Frameworks as Visible Light Photocatalysts for the Splitting of Water
Bi, J., Fang, W., Li, L., Wang, J., Liang, S., He, Y., Liu, M., & Wu, L. (2015) · Macromolecular Rapid Communications · doi:10.1002/marc.201500270 · Cited by 287
Li, J., Wu, D., Iocozzia, J., Du, H., Liu, X., Yuan, Y., Zhou, W., Li, Z., Xue, Z., & Lin, Z. (2019) · Angewandte Chemie International Edition · doi:10.1002/anie.201813117 · Cited by 287
Photocatalytic hydrogen evolution through fully conjugated poly(azomethine) networks
Schwab, M. G., Hamburger, M., Feng, X., Shu, J., Spiess, H. W., Wang, X., Antonietti, M., & Müllen, K. (2010) · Chemical Communications · doi:10.1039/c0cc04057f · Cited by 264
Wang, Z., Yang, X., Yang, T., Zhao, Y., Wang, F., Chen, Y., Zeng, J. H., Yan, C., Huang, F., & Jiang, J.-X. (2018) · ACS Catalysis · doi:10.1021/acscatal.8b02607 · Cited by 263
Organic Polymer Dots as Photocatalysts for Visible Light‐Driven Hydrogen Generation
Wang, L., Fernández‐Terán, R., Zhang, L., Fernandes, D. L. A., Tian, L., Chen, H., & Tian, H. (2016) · Angewandte Chemie International Edition · doi:10.1002/anie.201607018 · Cited by 255
Fast tuning of covalent triazine frameworks for photocatalytic hydrogen evolution
Kuecken, S., Acharjya, A., Zhi, L., Schwarze, M., Schomäcker, R., & Thomas, A. (2017) · Chemical Communications · doi:10.1039/c7cc01827d · Cited by 253
Guo, L., Niu, Y., Xu, H., Li, Q., Razzaque, S., Huang, Q., Jin, S., & Tan, B. (2018) · Journal of Materials Chemistry A · doi:10.1039/c8ta07391k · Cited by 249
Sprick, R. S., Bai, Y., Guilbert, A. A. Y., Zbiri, M., Aitchison, C. M., Wilbraham, L., Yan, Y., Woods, D. J., Zwijnenburg, M. A., & Cooper, A. I. (2019) · Chemistry of Materials · doi:10.1021/acs.chemmater.8b02833 · Cited by 220
Self-citationGrimme, S., & Bannwarth, C. (2016) · The Journal of Chemical Physics · doi:10.1063/1.4959605 · Cited by 171
Meier, C. B., Sprick, R. S., Monti, A., Guiglion, P., Lee, J.-S. M., Zwijnenburg, M. A., & Cooper, A. I. (2017) · Polymer · doi:10.1016/j.polymer.2017.04.017 · Cited by 169
Self-citationBi, S., Lan, Z., Paasch, S., Zhang, W., He, Y., Zhang, C., Liu, F., Wu, D., Zhuang, X., Brunner, E., et al. (2017) · Advanced Functional Materials · doi:10.1002/adfm.201703146 · Cited by 165
Shibata, T., Kabumoto, A., Shiragami, T., Ishitani, O., Pac, C., & Yanagida, S. (1990) · The Journal of Physical Chemistry · doi:10.1021/j100368a063 · Cited by 153
Li, L., Lo, W., Cai, Z., Zhang, N., & Yu, L. (2016) · Macromolecules · doi:10.1021/acs.macromol.6b01764 · Cited by 148
Dai, C., Xu, S., Liu, W., Gong, X., Panahandeh‐Fard, M., Liu, Z., Zhang, D., Xue, C., Loh, K. P., & Liu, B. (2018) · Small · doi:10.1002/smll.201801839 · Cited by 126
Semiconducting Polymers via Microwave‐Assisted Suzuki and Stille Cross‐Coupling Reactions
Nehls, B. S., Asawapirom, U., Füldner, S., Preis, E., Farrell, T., & Scherf, U. (2004) · Advanced Functional Materials · doi:10.1002/adfm.200400010 · Cited by 113
One Decade of Microwave‐Assisted Polymerizations: Quo vadis?
Ebner, C., Bodner, T., Stelzer, F., & Wiesbrock, F. (2011) · Macromolecular Rapid Communications · doi:10.1002/marc.201000539 · Cited by 111
Maximising the hydrogen evolution activity in organic photocatalysts by co-polymerisation
Sprick, R. S., Aitchison, C. M., Berardo, E., Turcani, L., Wilbraham, L., Alston, B. M., Jelfs, K. E., Zwijnenburg, M. A., & Cooper, A. I. (2018) · Journal of Materials Chemistry A · doi:10.1039/c8ta04186e · Cited by 110
Self-citationSprick, R. S., Wilbraham, L., Bai, Y., Guiglion, P., Monti, A., Clowes, R., Cooper, A. I., & Zwijnenburg, M. A. (2018) · Chemistry of Materials · doi:10.1021/acs.chemmater.8b02501 · Cited by 104
Self-citationMatsuoka, S., Fujii, H., Yamada, T., Pac, C., Ishida, A., Takamuku, S., Kusaba, M., Nakashima, N., & Yanagida, S. (1991) · The Journal of Physical Chemistry · doi:10.1021/j100168a018 · Cited by 95
Perylene‐Containing Conjugated Microporous Polymers for Photocatalytic Hydrogen Evolution
Xu, Y., Mao, N., Shi, F., Zhang, C., Wang, F., Chen, Y., Zeng, J., & Jiang, J. (2017) · Macromolecular Chemistry and Physics · doi:10.1002/macp.201700049 · Cited by 87
High-Throughput Screening Approach for the Optoelectronic Properties of Conjugated Polymers
Wilbraham, L., Berardo, E., Turcani, L., Jelfs, K. E., & Zwijnenburg, M. A. (2018) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.8b00256 · Cited by 79
Self-citationLi, J., Wu, D., Iocozzia, J., Du, H., Liu, X., Yuan, Y., Zhou, W. F., Li, Z., Xue, Z., & Lin, Z. (2018) · Angewandte Chemie · doi:10.1002/ange.201813117 · Cited by 69
stk : A python toolkit for supramolecular assembly
Turcani, L., Berardo, E., & Jelfs, K. E. (2018) · Journal of Computational Chemistry · doi:10.1002/jcc.25377 · Cited by 65
Guiglion, P., Monti, A., & Zwijnenburg, M. A. (2016) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.6b11133 · Cited by 49
Self-citationProgress in the demonstration and understanding of water splitting using particulate photocatalysts
Hisatomi, T., & Domen, K. (2017) · Current Opinion in Electrochemistry · doi:10.1016/j.coelec.2017.04.005 · Cited by 38
Cited by
Burger, B., Maffettone, P. M., Gusev, V. V., Aitchison, C. M., Bai, Y., Wang, X., Li, X., Alston, B. M., Li, B., Clowes, R., et al. (2020) · Nature · doi:10.1038/s41586-020-2442-2 · Cited by 1,516
Self-citationMolecularly Engineered Covalent Organic Frameworks for Hydrogen Peroxide Photosynthesis
Kou, M., Wang, Y., Xu, Y., Ye, L., Huang, Y., Jia, B., Li, H., Ren, J., Deng, Y., Chen, J., et al. (2022) · Angewandte Chemie International Edition · doi:10.1002/anie.202200413 · Cited by 697
Conjugated polymers for visible-light-driven photocatalysis
Dai, C., & Liu, B. (2020) · Energy & Environmental Science · doi:10.1039/c9ee01935a · Cited by 687
A review on exploration of Fe2O3 photocatalyst towards degradation of dyes and organic contaminants
Hitam, C. N. C., & Jalil, A. A. (2020) · Journal of Environmental Management · doi:10.1016/j.jenvman.2019.110050 · Cited by 560
Qian, Y., Han, Y., Zhang, X., Yang, G., Zhang, G., & Jiang, H.-L. (2023) · Nature Communications · doi:10.1038/s41467-023-38884-w · Cited by 448
Metadata
- Authors
- Bai, Y., Wilbraham, L., Slater, B. J., Zwijnenburg, M. A., Sprick, R. S., & Cooper, A. I.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2019-05-10
- Volume
- 141
- Issue
- 22
- Pages
- 9063-9071
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2944219262
- Cited by
- 409
- References
- 58
- FWCI
- 11.03
- Type
- journal article
- Language
- en
- Open access
- hybrid
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
