How reproducible are surface areas calculated from the BET equation?

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Osterrieth_2022_AM_How_Reproducible_are_Surface_Areas_Calculated_from_BET_Equation_CC.pdf (1.898Mb)
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07/07/2022
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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.
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-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 , Dincă , 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 , Telalović , S , Ghosh , S K , Mukherjee , S , Hill , M R , Sadiq , M M , Horcajada , P , Salcedo-Abraira , P , Kaneko , K , Kukobat , R , Kenvin , J , Keskin , S , Kitagawa , S , Otake , K , 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 , Danaci , D , Rosseinsky , M J , Katsoulidis , A P , Schröder , M , Han , X , Yang , 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 der Veen , M A , Rega , D , Van Speybroeck , V , Rogge , S M J , Lamaire , A , Walton , K S , Bingel , L W , Wuttke , S , Andreo , J , Yaghi , O , Zhang , B , Yavuz , C T , Nguyen , T S , 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 , no. 27 , 2201502 . https://doi.org/10.1002/adma.202201502
Publication
Advanced Materials
Status
Peer reviewed
DOI
https://doi.org/10.1002/adma.202201502
ISSN
0935-9648
Type
Journal article
Rights
Copyright © 2022 The Authors. Advanced Materials published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
Description
Funding: European Research Council. Grant Number: ERC-2016-COG 726380 Innovate UK. Grant Number: 104384 EPSRC. Grant Number: IAA/RG85685 U.S. Department of Energy. Grant Number: DE-FG02-08ER15967 European Research Council. Grant Number: ERC-2015-StG 677289 Sandia National Laboratories National Nuclear Security Administration. Grant Number: DE-NA-0003525 U.S. Department of Energy Office of Energy Efficiency and Renewable Energy Hydrogen and Fuel Cell Technologies Office SERB. Grant Number: CRG/2019/000906 Active Co. Research European Research Council. Grant Number: ERC-2017-StG 756489 European Commission. Grant Number: 872102 Spanish MICINN AEI/FEDER. Grant Number: RTI2018-099504-B-C21 University of Alicante. Grant Number: UATALENTO17-05 Spanish MINECO. Grant Number: SEV-2017-0706 Fund for Scientific Research Flanders. Grant Numbers: 12T3519N, 11D2220N EPSRC Cambridge. Grant Number: EP/L015978/1 National Research Foundation of Korea. Grant Numbers: NRF-2017M3A7B4042140, NRF-2017M3A7B4042235 Basic Energy Sciences. Grant Number: DE-SC0010596 Indonesian Endowment Fund. Grant Number: 202002220216006 European Union's Horizon 2020 Research and Innovation Program. Grant Number: 639233
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URI
http://hdl.handle.net/10023/25464

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