Publications

Activity and stability proxies for automated evaluation of IrO_x electrocatalysts under variable operating conditions, Electrochem. Chem., 2025, 179, 108035, Huang, G., Bozal-Ginesta, C., Aspuru-Guzik, A.

Developing machine learning for heterogeneous catalysis with experimental and computational data, Nat. Chem. Rev., 2025, 384, 756, Bozal-Ginesta, C., Pablo-García, S., Choi, C., Tarancón, A-, Aspuru-Guzik, A. ChemRxiv version.

Intermolecular H-bonding and tetrameric π-stacking enable dual “mortise-and-tenon” jointed S-scheme supramolecular arrays for efficient carrier separation, Appl. Catal. B Environ. Energy, 2025, 375, 125713, Zhuo Li, Z., Liu, E.Z., Bozal-Ginesta, C., Ma, H.X., Chen, H.Y., Wang, B.

Covalent triazine‐based frameworks with Ru‐tda based catalyst anchored via coordination bond for photoinduced water oxidation, Small, 2024, 21, 7, 2406375, Salati, M., Dorchies, F., Wang, J.W., Ventosa, M., González‐Carrero, S., Bozal‐Ginesta, C., Holub, J., Rüdiger, O., DeBeer, S., Gimbert‐Suriñach, C., Durrant, J.R., Ertem, M.Z., Gil‐Sepulcre, M., Llobet, A. ChemRxiv version.

Solid-state oxide-ion synaptic transistor for neuromorphic computing, Adv. Mater., 2024, 37, 7, 2415743, Langner, P., Chiabrera, F., Alayo, N., Nizet, P., Morrone, L. Bozal-Ginesta, C., Morata, A., Tarancón, A. arXiv version.

Performance prediction of high-entropy perovskites La_0.8Sr_0.2Mn_xCo_yFe_zO₃ with automated high-throughput characterization of combinatorial libraries and machine learning, Adv. Mater., 2024, 36, 50, 2407372, Bozal-Ginesta, C., Sirvent, J., Cordaro, G.,Fearn, S., Pablo-García, S., Chiabrera, F., Choi, C., Laa, L., Núñez, M., Cavallaro, A., Buzi, F., Aguadero, A., Dezanneau, G., Kilner, J., Morata, A., Baiutti, F., Aspuru-Guzik, A., Tarancón, A.

Asynchronous, closed-loop, delocalized, cloud-based discovery of organic laser emitters, Science, 2024, 384, 756, Strieth-Kalthoff, F., Hao, H., Rathore, V., Derasp, J., Gaudin, T., Angello, N.H., Seifrid, M., Trushina, E., Guy, M., Liu, J., Tang, X., Mamada, M., Wang, W., Tsagaantsooj, T., Lavigne, C., Wu, T.C., Hotta, K., Bodo, L., Li, S., Haddadnia, M., Wołos, A., Roszak, R., Ser, C.T., Bozal-Ginesta, C., Hickman, R.J., Vestfrid, J., Aguilar-Granda, A., Klimareva, E.L., Sigerson, R.C., Hou, W., Gahler, D., Lach, S., Warzybok, A., Borodin, O., Rohrbach, S., Sanchez-Lengeling, B., Adachi, C., Grzybowski, B.A., Cronin, L., Hein, J.E., Burke, M.D., Aspuru-Guzik, A. ChemRxiv version.

From computational screening to the synthesis of a promising OER catalyst, Chem. Sci., 2024, 15, 10556-10570, Hari Kumar, S.G., Bozal-Ginesta, C., Wang, N., Abed, J., Shan, C.H., Yao, Z., Aspuru-Guzik, A.

Palladium-catalyzed synthesis of linked bis-heterocycles─synthesis and investigation of photophysical properties, J. Am. Chem. Soc., 2023, 145, 49, 26623–26631, Arora, R., Mirabi, B., Durant, A.G., Bozal-Ginesta, C., Marchese, A.D., Aspuru-Guzik, A., Lautens, M.

Designing materials acceleration platforms for heterogeneous CO₂ photo(thermal)catalysis, Matter, 2023, 6, 5, 1334–1347, Wang, A., Bozal-Ginesta, C., Hari Kumar, S.G., Aspuru-Guzik, A., Ozin, G.A.

Spectroelectrochemistry of water oxidation kinetics in molecular versus heterogeneous oxide iridium electrocatalysts, J. Am. Chem. Soc., 2022, 144, 19, 8454–8459, Bozal-Ginesta, C., Rao, R.R., Mesa, C.A., Wang, Y., Zhao, Y., Hu, G., Antón-García, D., Stephens, I.E.L., Reisner, E., Brudvig, G., Wang, D., Durrant, J.R. Dataset: 10.5281/zenodo.6407221

A supramolecular H₁₂SubPcB-OPhCOPh/TiO_₂ Z-scheme hybrid assembled via dimeric concave-ligand π-interaction for visible photocatalytic oxidation of tetracycline, Appl. Catal. B Environ., 2021, 298, 120550, Wang, B., Bozal-Ginesta, C., Zhang, R.Q., Zhou, B., Ma, H.X., Jiao, L.Y., Xu, L., Liu, E.Z., Wang, C., Li, Z.

Redox-state kinetics in water-oxidation IrO_x electrocatalysts measured by operando spectroelectrochemistry, ACS Catal., 2021, 11, 24, 15013–15025, Bozal-Ginesta, C., Rao, R.R., Mesa, C.A., Liu, X., Hillman, S.A.J., Stephens, I.E.L., Durrant, J.R. ChemRxiv version. Dataset: 10.5281/zenodo.5699436

Insights from transient absorption spectroscopy into electron dynamics along the Ga-gradient in Cu(In,Ga)Se_₂ solar cells, Adv. Energy Mater., 2021, 11, 2003446, Chan, Y-H., Carron, R., Ochoa, M., Bozal-Ginesta, C., Tiwari, A.N., Durrant, J.R., Steier, L.

Spectroelectrochemical studies of multi-redox catalysts for water splitting, Imperial College London, 2021, Bozal-Ginesta, C.

Charge accumulation kinetics in multi-redox molecular catalysts on TiO_₂, Chem. Sci., 2021, 12, 946–959, Bozal-Ginesta, C., Mesa, C.A., Eisenschmidt, A., Francàs, L., Shankar, R., Antón-García, D., Warnan, J., Reynal, A., Petit, C., Reisner, E., Durrant, J.R. Dataset: 10.5281/zenodo.4268218

Self-recovery of photochemical H₂ evolution with a molecular diiron catalyst incorporated in a UiO-66 metal-organic framework, ChemPhotoChem, 2020, 4, 287–29, Bozal-Ginesta, C., Pullen, S., Ott, S., Hammarström, L.

Covalent grafting of molecular catalysts on C_₃N_ₓH_ᵧ as robust, efficient and well-defined photocatalysts for solar fuel synthesis, Chem. Sci., 2020, 11, 8425–8432, Windle, C., Wieczorek, A., Sachs, M., Bozal-Ginesta, C., Cha, H., Cockcroft, J., Durrant, J., Tang, J.

Artificial photosynthesis — concluding remarks, Faraday Discuss., 2019, 215, 439–451, Bozal-Ginesta, C., Durrant, J.R.

Biological approaches to artificial photosynthesis: general discussion, Faraday Discuss., 2019, 215, 66–83, Badiani, V., Bajada, M., Beller, M., Bocarsly, A.B., Bonnet, S., Bozal-Ginesta, C., Brueggeller, P., Butt, J.N., Cassiola, F., Grätzel, M., Hammarström, L., Hatzell, M.C., Jeukem, L.J.C., König, B., Kuehnel, M.F., Lawrence, J., Lee, C.Y., Maneiro, M., Minteer, S.D., Edwardes Moore, E., Piper, S.E.H., Plumeré, N., Reek, J.N.H., Reisner, E., Roy, S., Shears, J., Shylin, S.I., Soo, H.S., Wagner, A., Wielend, D., Zhang, J., Zwijnenburg, M.