1. How reproducible are surface areas calculated from the BET equation?
- Author
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Avcı, Seda Keskin (ORCID 0000-0001-5968-0336 & YÖK ID 40548), Osterrieth, J.W.M., Rampersad, J., Madden, D., Rampal, N., Skoric, L., Connolly, B., Allendorf, M.D., Stavila, V., Snider, J.L., Ameloot, R., Marreiros, J., Ania, C., Azevedo, D., Vilarrasa-Garcia, E., Santos, B.F., Bu, X.H., Chang, Z., Bunzen, H., Champness, N.R., Griffin, S.L., Chen, B., Lin, R.B., Coasne, B., Cohen, S., Moreton, J.C., Colón, Y.J., Chen, L., Clowes, R., Coudert, F.X., Cui, Y., Hou, B., D'Alessandro, D.M., Doheny, P.W., Dinc?, M., Sun, C., Doonan, C., Huxley, M.T., Evans, J.D., Falcaro, P., Ricco, R., Farha, O., Idrees, K.B., Islamoglu, T., Feng, P., Yang, H., Forgan, R.S., Bara, D., Furukawa, S., Sanchez, E., Gascon, J., Telalovi?, S., Ghosh, S.K., Mukherjee, S., Hill, M.R., Sadiq, M.M., Horcajada, P., Salcedo-Abraira, P., Kaneko, K., Kukobat, R., Kenvin, J., Kitagawa, S., Otake, K.I., Lively, R.P., DeWitt, S.J.A., Llewellyn, P., Lotsch, B.V., Emmerling, S.T., Pütz, A.M., Martí-Gastaldo, C., Padial, N.M., García-Martínez, J., Linares, N., Maspoch, D., Suárez Del Pino, J.A., Moghadam, P., Oktavian, R.; Morris, R.E.; Wheatley, P.S.; Navarro, J.; Petit, C.; Danacı, D.; Rosseinsky, M.J.; Katsoulidis, A.P.; Schröder, M.; Han, X.; Yan, S.; Serre, C.; Mouchaham, G.; Sholl, D.S.; Thyagarajan, R.; Siderius, D.; Snurr, R.Q.; Goncalves, R.B.; Telfer, S.; Lee, S.J.; Ting, V.P.; Rowlandson, J.L.; Uemura T, Iiyuka, T.; van derVeen, Monique A.; Rega, Davide; Van Speybroeck, Veronique; Rogge, Sven M. J.; Lamaire, Aran; Walton, Krista S.; Bingel, Lukas W.; Wuttke, Stefan; Andreo, Jacopo; Yaghi, Omar; Zhang, Bing; Yavuz, Cafer T.; Nguyen, Thien S.; Zamora, Felix; Montoro, Carmen; Zhou, Hongcai; Kirchon, Angelo; Fairen-Jimenez, David, College of Engineering, Department of Chemical and Biological Engineering, Avcı, Seda Keskin (ORCID 0000-0001-5968-0336 & YÖK ID 40548), Osterrieth, J.W.M., Rampersad, J., Madden, D., Rampal, N., Skoric, L., Connolly, B., Allendorf, M.D., Stavila, V., Snider, J.L., Ameloot, R., Marreiros, J., Ania, C., Azevedo, D., Vilarrasa-Garcia, E., Santos, B.F., Bu, X.H., Chang, Z., Bunzen, H., Champness, N.R., Griffin, S.L., Chen, B., Lin, R.B., Coasne, B., Cohen, S., Moreton, J.C., Colón, Y.J., Chen, L., Clowes, R., Coudert, F.X., Cui, Y., Hou, B., D'Alessandro, D.M., Doheny, P.W., Dinc?, M., Sun, C., Doonan, C., Huxley, M.T., Evans, J.D., Falcaro, P., Ricco, R., Farha, O., Idrees, K.B., Islamoglu, T., Feng, P., Yang, H., Forgan, R.S., Bara, D., Furukawa, S., Sanchez, E., Gascon, J., Telalovi?, S., Ghosh, S.K., Mukherjee, S., Hill, M.R., Sadiq, M.M., Horcajada, P., Salcedo-Abraira, P., Kaneko, K., Kukobat, R., Kenvin, J., Kitagawa, S., Otake, K.I., Lively, R.P., DeWitt, S.J.A., Llewellyn, P., Lotsch, B.V., Emmerling, S.T., Pütz, A.M., Martí-Gastaldo, C., Padial, N.M., García-Martínez, J., Linares, N., Maspoch, D., Suárez Del Pino, J.A., Moghadam, P., Oktavian, R.; Morris, R.E.; Wheatley, P.S.; Navarro, J.; Petit, C.; Danacı, D.; Rosseinsky, M.J.; Katsoulidis, A.P.; Schröder, M.; Han, X.; Yan, S.; Serre, C.; Mouchaham, G.; Sholl, D.S.; Thyagarajan, R.; Siderius, D.; Snurr, R.Q.; Goncalves, R.B.; Telfer, S.; Lee, S.J.; Ting, V.P.; Rowlandson, J.L.; Uemura T, Iiyuka, T.; van derVeen, Monique A.; Rega, Davide; Van Speybroeck, Veronique; Rogge, Sven M. J.; Lamaire, Aran; Walton, Krista S.; Bingel, Lukas W.; Wuttke, Stefan; Andreo, Jacopo; Yaghi, Omar; Zhang, Bing; Yavuz, Cafer T.; Nguyen, Thien S.; Zamora, Felix; Montoro, Carmen; Zhou, Hongcai; Kirchon, Angelo; Fairen-Jimenez, David, College of Engineering, and Department of Chemical and Biological Engineering
- Abstract
Porosity and surface area analysis play a prominent role in modern materials science. At the heart of this sits the Brunauer-Emmett-Teller (BET) theory, which has been a remarkably successful contribution to the field of materials science. The BET method was developed in the 1930s for open surfaces but is now the most widely used metric for the estimation of surface areas of micro- and mesoporous materials. Despite its widespread use, the calculation of BET surface areas causes a spread in reported areas, resulting in reproducibility problems in both academia and industry. To prove this, for this analysis, 18 already-measured raw adsorption isotherms were provided to sixty-one labs, who were asked to calculate the corresponding BET areas. This round-robin exercise resulted in a wide range of values. Here, the reproducibility of BET area determination from identical isotherms is demonstrated to be a largely ignored issue, raising critical concerns over the reliability of reported BET areas. To solve this major issue, a new computational approach to accurately and systematically determine the BET area of nanoporous materials is developed. The software, called ""BET surface identification"" (BETSI), expands on the well-known Rouquerol criteria and makes an unambiguous BET area assignment possible., European Union (EU); Horizon 2020; European Research Council (ERC); Research and Innovation Programme; NanoMOFdeli; COFLeaf; ERC-2016-COG; SCoTMOF; ERC-2015-StG; COSMOS; 2017-StG; European Commission (EC); H2020-MSCA-RISE-2019 Program; ZEOBIOCHEM; Innovate UK; EPSRC IAA; U.S. Department of Energy; Office of Basic Energy Sciences, Materials Sciences and Engineering Division; SERB; Spanish MICINN; AEI/FEDER; University of Alicante; Severo Ochoa Program; Spanish MINECO; Fund for Scientific Research Flanders (FWO); EPSRC Cambridge NanoDTC; National Research Foundation of Korea; Indonesian Endowment Fund for Education-LPDP;Cambridge International Scholarship; Trinity-Henry Barlow Scholarship (Honorary); U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy; Hydrogen and Fuel Cell Technologies Office; Hydrogen Storage Materials Advanced Research Consortium (HyMARC); Alexander von Humboldt Foundation; Center for Information Services and High Performance Computing (ZIH); Sandia National Laboratories; Official contribution of the National Institute of Standards and Technology (NIST)
- Published
- 2022