How reproducible are surface areas calculated from the BET equation?

Johannes W. M. Osterrieth; James Rampersad; David Madden; Nakul Rampal; Luka Skoric; Bethany Connolly; Mark D. Allendorf; Vitalie Stavila; Jonathan L. Snider; Rob Ameloot; João Marreiros; Conchi Ania; Diana Azevedo; E. Vilarrasa-Garcia; Bianca F. Santos; Xian-He Bu; Ze Chang; Hana Bunzen; Neil Champness; Sarah Griffin; Banglin Chen; Rui-Biao Lin; Benoit Coasne; Seth Cohen; Jessica C. Moreton; Yamil J. Colón; Linjiang Chen; Rob Clowes; François-Xavier Coudert; Yong Cui; Bang Hou; Deanna M. D'Alessandro; Patrick W. Doheny; Mircea Dincă; Chenyue Sun; Christian Doonan; Michael Thomas Huxley; Jack D. Evans; Paolo Falcaro; Raffaele Riccò; Omar Farha; Karam B. Idrees; Timur Islamoglu; Pingyun Feng; Huajun Yang; Ross Forgan; Dominic Bara; Shuhei Furukawa; Eli Sanchez; Jorge Gascon; Selvedin Telalović; Sujit K. Ghosh; Soumya Mukherjee; Matthew R. Hill; Muhammed Munir Sadiq; Patricia Horcajada; Pablo Salcedo-Abraira; Katsumi Kaneko; Radovan Kukobat; Jeff Kenvin; Seda Keskin; Susumu Kitagawa; Ken-ichi Otake; Ryan P. Lively; Stephen J.A. DeWitt; Phillip Llewellyn; Bettina V. Lotsch; Sebastian T. Emmerling; Alexander M. Pütz; Carlos Martí-Gastaldo; Natalia M. Padial; Javier Garcia-Martinez; Noemi Linares; Daniel Maspoch Comamala; José A. Suárez del Pino; Peyman Moghadam; Rama Oktavian; Russel E. Morris; Paul S. Wheatley; Jorge Navarro; Camille Petit; David Danaci; Matthew J. Rosseinsky; Alexandros P. Katsoulidis; Martin Schröder; Xue Han; Sihai Yang; Christian Serre; Georges Mouchaham; David S. Sholl; Raghuram Thyagarajan; Daniel W. Siderius; Randall Q. Snurr; Rebecca Barbosa Goncalves; Shane Telfer; Seok J. Lee; V.P. Ting; Jemma L. Rowlandson; Takashi Uemura; Tomoya Iiyuka; Monique van der Veen; Davide Rega; Veronique Van Speybroeck; Sven M.J. Rogge; Aran Lamaire; Krista S. Walton; Lukas Bingel; Stefan Wuttke; Jacopo Andreo; Omar M. Yaghi; Bing Zhang; Cafer Tayyar Yavuz; Thien S. Nguyen; Felix Zamora; Carmen Montoro; Hongcai Zhou; Angelo Kirchon; David Fairen-Jimenez

doi:10.1002/adma.202201502

How reproducible are surface areas calculated from the BET equation?

Johannes W. M. Osterrieth, James Rampersad, David Madden, Nakul Rampal, Luka Skoric, Bethany Connolly, Mark D. Allendorf, Vitalie Stavila, Jonathan L. Snider, Rob Ameloot, João Marreiros, Conchi Ania, Diana Azevedo, E. Vilarrasa-Garcia, Bianca F. Santos, Xian-He Bu, Ze Chang, Hana Bunzen, Neil Champness, Sarah GriffinBanglin Chen, Rui-Biao Lin, Benoit Coasne, Seth Cohen, Jessica C. Moreton, Yamil J. Colón, Linjiang Chen, Rob Clowes, François-Xavier Coudert, Yong Cui, Bang Hou, Deanna M. D'Alessandro, Patrick W. Doheny, Mircea Dincă, Chenyue Sun, Christian Doonan, Michael Thomas Huxley, Jack D. Evans, Paolo Falcaro, Raffaele Riccò, Omar Farha, Karam B. Idrees, Timur Islamoglu, Pingyun Feng, Huajun Yang, Ross Forgan, Dominic Bara, Shuhei Furukawa, Eli Sanchez, Jorge Gascon, Selvedin Telalović, Sujit K. Ghosh, Soumya Mukherjee, Matthew R. Hill, Muhammed Munir Sadiq, Patricia Horcajada, Pablo Salcedo-Abraira, Katsumi Kaneko, Radovan Kukobat, Jeff Kenvin, Seda Keskin, Susumu Kitagawa, Ken-ichi Otake, Ryan P. Lively, Stephen J.A. DeWitt, Phillip Llewellyn, Bettina V. Lotsch, Sebastian T. Emmerling, Alexander M. Pütz, Carlos Martí-Gastaldo, Natalia M. Padial, Javier Garcia-Martinez, Noemi Linares, Daniel Maspoch Comamala, José A. Suárez del Pino, Peyman Moghadam, Rama Oktavian, Russel E. Morris, Paul S. Wheatley, Jorge Navarro, Camille Petit, David Danaci, Matthew J. Rosseinsky, Alexandros P. Katsoulidis, Martin Schröder, Xue Han, Sihai Yang, Christian Serre, Georges Mouchaham, David S. Sholl, Raghuram Thyagarajan, Daniel W. Siderius, Randall Q. Snurr, Rebecca Barbosa Goncalves, Shane Telfer, Seok J. Lee, V.P. Ting, Jemma L. Rowlandson, Takashi Uemura, Tomoya Iiyuka, Monique van der Veen, Davide Rega, Veronique Van Speybroeck, Sven M.J. Rogge, Aran Lamaire, Krista S. Walton, Lukas Bingel, Stefan Wuttke, Jacopo Andreo, Omar M. Yaghi, Bing Zhang, Cafer Tayyar Yavuz, Thien S. Nguyen, Felix Zamora, Carmen Montoro, Hongcai Zhou, Angelo Kirchon, David Fairen-Jimenez

Producció científica: Contribució a revista › Article › Recerca › Avaluat per experts

192 Cites (Scopus)

Resum

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.

Idioma original	Anglès
Revista	Advanced Materials
Volum	34
Número	27
DOIs	https://doi.org/10.1002/adma.202201502
Estat de la publicació	Publicada - 2022

Accés al document

10.1002/adma.202201502

https://ddd.uab.cat/record/266322

Com citar-ho

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., ... Fairen-Jimenez, D. (2022). How reproducible are surface areas calculated from the BET equation? Advanced Materials, 34(27). https://doi.org/10.1002/adma.202201502

@article{fe67745763dd481e9ab0e4fb1f26d3e9,

title = "How reproducible are surface areas calculated from the BET equation?",

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.",

keywords = "Adsorption, BET theory, Porosimetry, Porous materials, Surface area",

author = "Osterrieth, {Johannes W. M.} and James Rampersad and David Madden and Nakul Rampal and Luka Skoric and Bethany Connolly and Allendorf, {Mark D.} and Vitalie Stavila and Snider, {Jonathan L.} and Rob Ameloot and Jo{\~a}o Marreiros and Conchi Ania and Diana Azevedo and E. Vilarrasa-Garcia and Santos, {Bianca F.} and Xian-He Bu and Ze Chang and Hana Bunzen and Neil Champness and Sarah Griffin and Banglin Chen and Rui-Biao Lin and Benoit Coasne and Seth Cohen and Moreton, {Jessica C.} and Col{\'o}n, {Yamil J.} and Linjiang Chen and Rob Clowes and Fran{\c c}ois-Xavier Coudert and Yong Cui and Bang Hou and D'Alessandro, {Deanna M.} and Doheny, {Patrick W.} and Mircea Dinc{\u a} and Chenyue Sun and Christian Doonan and Huxley, {Michael Thomas} and Evans, {Jack D.} and Paolo Falcaro and Raffaele Ricc{\`o} and Omar Farha and Idrees, {Karam B.} and Timur Islamoglu and Pingyun Feng and Huajun Yang and Ross Forgan and Dominic Bara and Shuhei Furukawa and Eli Sanchez and Jorge Gascon and Selvedin Telalovi{\'c} and Ghosh, {Sujit K.} and Soumya Mukherjee and Hill, {Matthew R.} and Sadiq, {Muhammed Munir} and Patricia Horcajada and Pablo Salcedo-Abraira and Katsumi Kaneko and Radovan Kukobat and Jeff Kenvin and Seda Keskin and Susumu Kitagawa and Ken-ichi Otake and Lively, {Ryan P.} and DeWitt, {Stephen J.A.} and Phillip Llewellyn and Lotsch, {Bettina V.} and Emmerling, {Sebastian T.} and P{\"u}tz, {Alexander M.} and Carlos Mart{\'i}-Gastaldo and Padial, {Natalia M.} and Javier Garcia-Martinez and Noemi Linares and {Maspoch Comamala}, Daniel and {Su{\'a}rez del Pino}, {Jos{\'e} A.} and Peyman Moghadam and Rama Oktavian and Morris, {Russel E.} and Wheatley, {Paul S.} and Jorge Navarro and Camille Petit and David Danaci and Rosseinsky, {Matthew J.} and Katsoulidis, {Alexandros P.} and Martin Schr{\"o}der and Xue Han and Sihai Yang and Christian Serre and Georges Mouchaham and Sholl, {David S.} and Raghuram Thyagarajan and Siderius, {Daniel W.} and Snurr, {Randall Q.} and {Barbosa Goncalves}, Rebecca and Shane Telfer and Lee, {Seok J.} and V.P. Ting and Rowlandson, {Jemma L.} and Takashi Uemura and Tomoya Iiyuka and {van der Veen}, Monique and Davide Rega and {Van Speybroeck}, Veronique and Rogge, {Sven M.J.} and Aran Lamaire and Walton, {Krista S.} and Lukas Bingel and Stefan Wuttke and Jacopo Andreo and Yaghi, {Omar M.} and Bing Zhang and Yavuz, {Cafer Tayyar} and Nguyen, {Thien S.} and Felix Zamora and Carmen Montoro and Hongcai Zhou and Angelo Kirchon and David Fairen-Jimenez",

year = "2022",

doi = "10.1002/adma.202201502",

language = "English",

volume = "34",

journal = "Advanced Materials",

issn = "1521-4095",

number = "27",

}

Osterrieth, JWM, Rampersad, J, Madden, D, Rampal, N, Skoric, L, Connolly, B, Allendorf, MD, Stavila, V, Snider, JL, Ameloot, R, Marreiros, J, Ania, C, Azevedo, D, Vilarrasa-Garcia, E, Santos, BF, Bu, X-H, Chang, Z, Bunzen, H, Champness, N, Griffin, S, Chen, B, Lin, R-B, Coasne, B, Cohen, S, Moreton, JC, Colón, YJ, Chen, L, Clowes, R, Coudert, F-X, Cui, Y, Hou, B, D'Alessandro, DM, Doheny, PW, Dincă, M, Sun, C, Doonan, C, Huxley, MT, Evans, JD, Falcaro, P, Riccò, R, Farha, O, Idrees, KB, Islamoglu, T, Feng, P, Yang, H, Forgan, R, Bara, D, Furukawa, S, Sanchez, E, Gascon, J, Telalović, S, Ghosh, SK, Mukherjee, S, Hill, MR, Sadiq, MM, Horcajada, P, Salcedo-Abraira, P, Kaneko, K, Kukobat, R, Kenvin, J, Keskin, S, Kitagawa, S, Otake, K, Lively, RP, DeWitt, SJA, Llewellyn, P, Lotsch, BV, Emmerling, ST, Pütz, AM, Martí-Gastaldo, C, Padial, NM, Garcia-Martinez, J, Linares, N, Maspoch Comamala, D, Suárez del Pino, JA, Moghadam, P, Oktavian, R, Morris, RE, Wheatley, PS, Navarro, J, Petit, C, Danaci, D, Rosseinsky, MJ, Katsoulidis, AP, Schröder, M, Han, X, Yang, S, Serre, C, Mouchaham, G, Sholl, DS, Thyagarajan, R, Siderius, DW, Snurr, RQ, Barbosa Goncalves, R, Telfer, S, Lee, SJ, Ting, VP, Rowlandson, JL, Uemura, T, Iiyuka, T, van der Veen, M, Rega, D, Van Speybroeck, V, Rogge, SMJ, Lamaire, A, Walton, KS, Bingel, L, Wuttke, S, Andreo, J, Yaghi, OM, Zhang, B, Yavuz, CT, Nguyen, TS, Zamora, F, Montoro, C, Zhou, H, Kirchon, A & Fairen-Jimenez, D 2022, 'How reproducible are surface areas calculated from the BET equation?', Advanced Materials, vol. 34, núm. 27. https://doi.org/10.1002/adma.202201502