How Reproducible are Surface Areas Calculated from the BET Equation?
Type
ArticleAuthors
Osterrieth, Johannes W. M.Rampersad, James
Madden, David
Rampal, Nakul
Skoric, Luka
Connolly, Bethany
Allendorf, Mark D.
Stavila, Vitalie
Snider, Jonathan L.
Ameloot, Rob
Marreiros, João
Ania, Conchi
Azevedo, Diana
Vilarrasa-Garcia, Enrique
Santos, Bianca F.
Bu, Xian-He
Chang, Ze
Bunzen, Hana
Champness, Neil R.
Griffin, Sarah L.
Chen, Banglin
Lin, Rui-Biao
Coasne, Benoit
Cohen, Seth
Moreton, Jessica C.
Colón, Yamil J.
Chen, Linjiang
Clowes, Rob
Coudert, François-Xavier
Cui, Yong
Hou, Bang
D'Alessandro, Deanna M.
Doheny, Patrick W.
Dincă, Mircea
Sun, Chenyue
Doonan, Christian
Huxley, Michael Thomas
Evans, Jack D.
Falcaro, Paolo
Ricco, Raffaele
Farha, Omar
Idrees, Karam B.
Islamoglu, Timur
Feng, Pingyun
Yang, Huajun
Forgan, Ross S.
Bara, Dominic
Furukawa, Shuhei
Sanchez, Eli
Gascon, Jorge
Telalovic, Selvedin
Ghosh, Sujit K.
Mukherjee, Soumya
Hill, Matthew R.
Sadiq, Muhammed Munir
Horcajada, Patricia
Salcedo-Abraira, Pablo
Kaneko, Katsumi
Kukobat, Radovan
Kenvin, Jeff
Keskin, Seda
Kitagawa, Susumu
Otake, Ken-ichi
Lively, Ryan P.
DeWitt, Stephen J. A.
Llewellyn, Phillip
Lotsch, Bettina V.
Emmerling, Sebastian T.
Pütz, Alexander M.
Martí-Gastaldo, Carlos
Padial, Natalia M.
García-Martínez, Javier
Linares, Noemi
Maspoch, Daniel
Suárez del Pino, Jose A.
Moghadam, Peyman
Oktavian, Rama
Morris, Russel E.
Wheatley, Paul S.
Navarro, Jorge
Petit, Camille
Danaci, David
Rosseinsky, Matthew J.
Katsoulidis, Alexandros P.
Schröder, Martin
Han, Xue
Yang, Sihai
Serre, Christian
Mouchaham, Georges
Sholl, David S.
Thyagarajan, Raghuram
Siderius, Daniel
Snurr, Randall Q.
Goncalves, Rebecca B.
Telfer, Shane
Lee, Seok J.
Ting, Valeska P.
Rowlandson, Jemma L.
Uemura, Takashi
Iiyuka, Tomoya
Veen, 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
KAUST Department
KAUST Catalysis Center (KCC) King Abdullah University of Science and Technology P.O. Box 4700 Thuwal-Jeddah 23955-6900 Kingdom of Saudi ArabiaChemical Engineering Program
KAUST Catalysis Center (KCC)
Physical Science and Engineering (PSE) Division
Date
2022-05-23Permanent link to this record
http://hdl.handle.net/10754/678181Metadata
Show full item recordAbstract
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.Citation
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., Chang, Z., Bunzen, H., Champness, N. R., … Fairen-Jimenez, D. (2022). How Reproducible are Surface Areas Calculated from the BET Equation? Advanced Materials, 2201502. Portico. https://doi.org/10.1002/adma.202201502Sponsors
This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (NanoMOFdeli), ERC-2016-COG 726380, Innovate UK (104384) and EPSRC IAA (IAA/RG85685). N.R. acknowledges the support of the Cambridge International Scholarship and the Trinity-Henry Barlow Scholarship (Honorary). O.K.F. and R.Q.S. acknowledge funding from the U.S. Department of Energy (DE-FG02-08ER15967). R.S.F. and D.B. acknowledge funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (SCoTMOF), ERC-2015-StG 677289. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA-0003525. The authors gratefully acknowledge funding from the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Hydrogen and Fuel Cell Technologies Office, through the Hydrogen Storage Materials Advanced Research Consortium (HyMARC). This paper describes objective technical results and analysis. Any subjective views or opinions that might be expressed in the paper do not necessarily represent the views of the U.S. Department of Energy or the United States Government. J.D.E. acknowledges the support of the Alexander von Humboldt Foundation and the Center for Information Services and High Performance Computing (ZIH) at TU Dresden. S.K.G. and S.M. acknowledge SERB (Project No. CRG/2019/000906), India for financial support. K.K. and R.K. acknowledge Active Co. Research Grant for funding. S.K. acknowledges funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (COSMOS), ERC-2017-StG 756489. N.L. and J.G.M acknowledge funding from the European Commission through the H2020-MSCA-RISE-2019 program (ZEOBIOCHEM – 872102) and the Spanish MICINN and AEI/FEDER (RTI2018-099504-B-C21). N.L. thanks the University of Alicante for funding (UATALENTO17-05). ICN2 is supported by the Severo Ochoa program from the Spanish MINECO (Grant No. SEV-2017-0706) S.M.J.R. and A.L. wish to thank the Fund for Scientific Research Flanders (FWO), under grant nos. 12T3519N and 11D2220N. L.S. was supported by the EPSRC Cambridge NanoDTC EP/L015978/1. C.T.Y. and T.S.N. acknowledges funds from the National Research Foundation of Korea, NRF-2017M3A7B4042140 and NRF-2017M3A7B4042235. P.F. and H. Y. acknowledge US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division under Award No. DE-SC0010596 (P.F.). R.O. would like to acknowledge funding support during his Ph.D. study from Indonesian Endowment Fund for Education-LPDP with the contract No. 202002220216006. Daniel Siderius: Official contribution of the National Institute of Standards and Technology (NIST), not subject to copyright in the United States of America. Daniel Siderius: Certain commercially available items may be identified in this paper. This identification does not imply recommendation by NIST, nor does it imply that it is the best available for the purposes described. B.V.L, S.T.E and A.M.P acknowledge funding from the European Research Council (ERC) under the European Union's Horizon 2020 Research and Innovation Program (Grant agreement no. 639233, COFLeaf).Publisher
WileyJournal
Advanced MaterialsAdditional Links
https://onlinelibrary.wiley.com/doi/10.1002/adma.202201502Scopus Count
Except where otherwise noted, this item's license is described as Archived with thanks to Advanced Materials under a Creative Commons license, details at: http://creativecommons.org/licenses/by/4.0/
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