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dc.contributor.authorOsterrieth, Johannes W. M.
dc.contributor.authorRampersad, James
dc.contributor.authorMadden, David
dc.contributor.authorRampal, Nakul
dc.contributor.authorSkoric, Luka
dc.contributor.authorConnolly, Bethany
dc.contributor.authorAllendorf, Mark D.
dc.contributor.authorStavila, Vitalie
dc.contributor.authorSnider, Jonathan L.
dc.contributor.authorAmeloot, Rob
dc.contributor.authorMarreiros, João
dc.contributor.authorAnia, Conchi
dc.contributor.authorAzevedo, Diana
dc.contributor.authorVilarrasa-Garcia, Enrique
dc.contributor.authorSantos, Bianca F.
dc.contributor.authorBu, Xian-He
dc.contributor.authorChang, Ze
dc.contributor.authorBunzen, Hana
dc.contributor.authorChampness, Neil R.
dc.contributor.authorGriffin, Sarah L.
dc.contributor.authorChen, Banglin
dc.contributor.authorLin, Rui-Biao
dc.contributor.authorCoasne, Benoit
dc.contributor.authorCohen, Seth
dc.contributor.authorMoreton, Jessica C.
dc.contributor.authorColón, Yamil J.
dc.contributor.authorChen, Linjiang
dc.contributor.authorClowes, Rob
dc.contributor.authorCoudert, François-Xavier
dc.contributor.authorCui, Yong
dc.contributor.authorHou, Bang
dc.contributor.authorD'Alessandro, Deanna M.
dc.contributor.authorDoheny, Patrick W.
dc.contributor.authorDincă, Mircea
dc.contributor.authorSun, Chenyue
dc.contributor.authorDoonan, Christian
dc.contributor.authorHuxley, Michael Thomas
dc.contributor.authorEvans, Jack D.
dc.contributor.authorFalcaro, Paolo
dc.contributor.authorRicco, Raffaele
dc.contributor.authorFarha, Omar
dc.contributor.authorIdrees, Karam B.
dc.contributor.authorIslamoglu, Timur
dc.contributor.authorFeng, Pingyun
dc.contributor.authorYang, Huajun
dc.contributor.authorForgan, Ross S.
dc.contributor.authorBara, Dominic
dc.contributor.authorFurukawa, Shuhei
dc.contributor.authorSanchez, Eli
dc.contributor.authorGascon, Jorge
dc.contributor.authorTelalović, Selvedin
dc.contributor.authorGhosh, Sujit K.
dc.contributor.authorMukherjee, Soumya
dc.contributor.authorHill, Matthew R.
dc.contributor.authorSadiq, Muhammed Munir
dc.contributor.authorHorcajada, Patricia
dc.contributor.authorSalcedo-Abraira, Pablo
dc.contributor.authorKaneko, Katsumi
dc.contributor.authorKukobat, Radovan
dc.contributor.authorKenvin, Jeff
dc.contributor.authorKeskin, Seda
dc.contributor.authorKitagawa, Susumu
dc.contributor.authorOtake, Ken-ichi
dc.contributor.authorLively, Ryan P.
dc.contributor.authorDeWitt, Stephen J. A.
dc.contributor.authorLlewellyn, Phillip
dc.contributor.authorLotsch, Bettina V.
dc.contributor.authorEmmerling, Sebastian T.
dc.contributor.authorPütz, Alexander M.
dc.contributor.authorMartí-Gastaldo, Carlos
dc.contributor.authorPadial, Natalia M.
dc.contributor.authorGarcía-Martínez, Javier
dc.contributor.authorLinares, Noemi
dc.contributor.authorMaspoch, Daniel
dc.contributor.authorSuárez del Pino, Jose A.
dc.contributor.authorMoghadam, Peyman
dc.contributor.authorOktavian, Rama
dc.contributor.authorMorris, Russell E.
dc.contributor.authorWheatley, Paul S.
dc.contributor.authorNavarro, Jorge
dc.contributor.authorPetit, Camille
dc.contributor.authorDanaci, David
dc.contributor.authorRosseinsky, Matthew J.
dc.contributor.authorKatsoulidis, Alexandros P.
dc.contributor.authorSchröder, Martin
dc.contributor.authorHan, Xue
dc.contributor.authorYang, Sihai
dc.contributor.authorSerre, Christian
dc.contributor.authorMouchaham, Georges
dc.contributor.authorSholl, David S.
dc.contributor.authorThyagarajan, Raghuram
dc.contributor.authorSiderius, Daniel
dc.contributor.authorSnurr, Randall Q.
dc.contributor.authorGoncalves, Rebecca B.
dc.contributor.authorTelfer, Shane
dc.contributor.authorLee, Seok J.
dc.contributor.authorTing, Valeska P.
dc.contributor.authorRowlandson, Jemma L.
dc.contributor.authorUemura, Takashi
dc.contributor.authorIiyuka, Tomoya
dc.contributor.authorvan der Veen, Monique A.
dc.contributor.authorRega, Davide
dc.contributor.authorVan Speybroeck, Veronique
dc.contributor.authorRogge, Sven M. J.
dc.contributor.authorLamaire, Aran
dc.contributor.authorWalton, Krista S.
dc.contributor.authorBingel, Lukas W.
dc.contributor.authorWuttke, Stefan
dc.contributor.authorAndreo, Jacopo
dc.contributor.authorYaghi, Omar
dc.contributor.authorZhang, Bing
dc.contributor.authorYavuz, Cafer T.
dc.contributor.authorNguyen, Thien S.
dc.contributor.authorZamora, Felix
dc.contributor.authorMontoro, Carmen
dc.contributor.authorZhou, Hongcai
dc.contributor.authorKirchon, Angelo
dc.contributor.authorFairen-Jimenez, David
dc.identifier.citationOsterrieth , 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 .
dc.identifier.otherPURE: 279712108
dc.identifier.otherPURE UUID: a0628c52-4fde-492e-a0d5-663d02f1ef5b
dc.identifier.otherRIS: urn:445C1F0AC40D5C8AA190623849F02974
dc.identifier.otherORCID: /0000-0001-7809-0315/work/113703521
dc.identifier.otherWOS: 000798646500001
dc.identifier.otherScopus: 85130745354
dc.descriptionFunding: 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: 639233en
dc.description.abstractPorosity 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.
dc.relation.ispartofAdvanced Materialsen
dc.rightsCopyright © 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.en
dc.subjectBET theoryen
dc.subjectPorous materialsen
dc.subjectSurface areaen
dc.subjectQD Chemistryen
dc.titleHow reproducible are surface areas calculated from the BET equation?en
dc.typeJournal articleen
dc.description.versionPublisher PDFen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. Institute of Behavioural and Neural Sciencesen
dc.description.statusPeer revieweden

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