How Reproducible are Surface Areas Calculated from the BET Equation?

Johannes W. M. Osterrieth; Jarnes Rampersad; David Madden; Nakul Rampal; Luka Skoric; Bethany Connolly; Mark D. Allendorf; Vitalie Stavila; Jonathan L. Snider; Rob Ameloot; Joao Marreiros; Conchi Ania; Diana Azevedo; Enrique Vilarrasa-Garcia; Bianca F. Santos; Xian-He Bu; Ze Chang; Hana Bunzen; Neil R. Champness; Sarah L. Griffin; Banglin Chen; Rui-Biao Lin; Benoit Coasne; Seth Cohen; Jessica C. Moreton; Yamil J. Colon; Linjiang Chen; Rob Clowes; Francois-Xavier Coudert; Yong Cui; Bang Hou; Deanna M. D'Alessandro; Patrick W. Doheny; Mircea Dinca; Chenyue Sun; Christian Doonan; Michael Thomas Huxley; Jack D. Evans; Paolo Falcaro; Raffaele Ricco; Omar Farha; Karam B. Idrees; Timur Islamoglu; Pingyun Feng; Huajun Yang; Ross S. Forgan; Dominic Bara; Shuhei Furukawa; Eli Sanchez; Jorge Gascon; Selvedin Telalovic; 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 Lotsch; Sebastian T. Emmerling; Alexander M. Putz; Carlos Marti-Gastaldo; Natalia M. Padial; Javier Garcia-Martinez; Noemi Linares; Daniel Maspoch; Jose A. Suarez 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 Schroder; Xue Han; Sihai Yang; Christian Serre; Georges Mouchaham; David S. Sholl; Raghuram Thyagarajan; Daniel Siderius; Randall Q. Snurr; Rebecca B. Goncalves; Shane Telfer; Seok J. Lee; Valeska P. Ting; Jemma L. Rowlandson; Takashi Uemura; Tomoya Liyuka; Monique A. van derVeen; Davide Rega; Veronique Van Speybroeck; Sven M. J. Rogge; Aran Lamaire; Krista S. Walton; Lukas W. Bingel; Stefan Wuttke; Jacopo Andreo; Omar Yaghi; Bing Zhang; Cafer T. Yavuz; Thien S. Nguyen; Felix Zamora; Carmen Montoro; Hongcai Zhou; Angelo Kirchon; David Fairen-Jimenez

doi:10.1002/adma.202201502

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How Reproducible are Surface Areas Calculated from the BET Equation?

Journal article

Peer reviewed

How Reproducible are Surface Areas Calculated from the BET Equation?

Johannes W. M. Osterrieth, Jarnes Rampersad, David Madden, Nakul Rampal, Luka Skoric, Bethany Connolly, Mark D. Allendorf, Vitalie Stavila, Jonathan L. Snider, Rob Ameloot, …

Advanced materials (Weinheim), Vol.34(27), pp.e2201502-n/a

01/07/2022

DOI: https://doi.org/10.1002/adma.202201502

PMID: 35603497

Abstract

Chemistry

Chemistry, Multidisciplinary

Chemistry, Physical

Materials Science

Materials Science, Multidisciplinary

Nanoscience & Nanotechnology

Physical Sciences

Physics

Physics, Applied

Physics, Condensed Matter

Science & Technology

Science & Technology - Other Topics

Technology

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.

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Title: How Reproducible are Surface Areas Calculated from the BET Equation?
Creators - without role: Johannes W. M. Osterrieth - University of Cambridge
Jarnes Rampersad - University of Cambridge
David Madden - University of Cambridge
Nakul Rampal - University of Cambridge
Luka Skoric - University of Cambridge
Bethany Connolly - University of Cambridge
Mark D. Allendorf - Sandia National Laboratories California
Vitalie Stavila - Sandia National Laboratories California
Jonathan L. Snider - Sandia National Laboratories California
Rob Ameloot - KU Leuven
Joao Marreiros - KU Leuven
Conchi Ania - Université d'Orléans
Diana Azevedo - Univ Fed Ceara, Dept Chem Engn, LPACO2 GPSA, BR-60455760 Fortaleza, Ceara, Brazil
Enrique Vilarrasa-Garcia - Universidade Federal do Ceará
Bianca F. Santos - Univ Fed Ceara, Dept Chem Engn, LPACO2 GPSA, BR-60455760 Fortaleza, Ceara, Brazil
Xian-He Bu - Nankai University
Ze Chang - Nankai University
Hana Bunzen - University of Augsburg
Neil R. Champness - University of Nottingham
Sarah L. Griffin - University of Nottingham
Banglin Chen - The University of Texas at San Antonio
Rui-Biao Lin - The University of Texas at San Antonio
Benoit Coasne - Laboratoire Interdisciplinaire de Physique
Seth Cohen - University of California, San Diego
Jessica C. Moreton - University of California, San Diego
Yamil J. Colon - University of Notre Dame
Linjiang Chen - University of Liverpool
Rob Clowes - University of Liverpool
Francois-Xavier Coudert - Institut de Recherche de Chimie Paris
Yong Cui - Shanghai Jiao Tong University
Bang Hou - Shanghai Jiao Tong University
Deanna M. D'Alessandro - University of Sydney
Patrick W. Doheny - University of Sydney
Mircea Dinca - Massachusetts Institute of Technology
Chenyue Sun - Massachusetts Institute of Technology
Christian Doonan - University of Adelaide
Michael Thomas Huxley - University of Adelaide
Jack D. Evans - TU Dresden
Paolo Falcaro - Graz University of Technology
Raffaele Ricco - Graz University of Technology
Omar Farha - Northwestern University
Karam B. Idrees - Northwestern University
Timur Islamoglu - Northwestern University
Pingyun Feng - University of California, Riverside
Huajun Yang - University of California, Riverside
Ross S. Forgan - University of Glasgow
Dominic Bara - University of Glasgow
Shuhei Furukawa - Kyoto University
Eli Sanchez - Kyoto University
Jorge Gascon - King Abdullah University of Science and Technology
Selvedin Telalovic - King Abdullah University of Science and Technology
Sujit K. Ghosh - Indian Institute of Science Education and Research Pune
Soumya Mukherjee - Indian Institute of Science Education and Research Pune
Matthew R. Hill - CSIRO Manufacturing
Muhammed Munir Sadiq - CSIRO, Private Bag 33, Clayton, Vic 3169, Australia
Patricia Horcajada - Madrid Institute for Advanced Studies
Pablo Salcedo-Abraira - Madrid Institute for Advanced Studies
Katsumi Kaneko - Shinshu University
Radovan Kukobat - Shinshu University
Jeff Kenvin - Process Instruments
Seda Keskin - Koç University
Susumu Kitagawa - Kyoto University
Ken-ichi Otake - Kyoto University
Ryan P. Lively - Georgia Institute of Technology
Stephen J. A. DeWitt - Georgia Institute of Technology
Phillip Llewellyn - Aix-Marseille University
Bettina Lotsch - Max Planck Institute for Solid State Research
Sebastian T. Emmerling - Max Planck Institute for Solid State Research
Alexander M. Putz - Max Planck Institute for Solid State Research
Carlos Marti-Gastaldo - Parc Científic de la Universitat de València
Natalia M. Padial - Parc Científic de la Universitat de València
Javier Garcia-Martinez - University of Alicante
Noemi Linares - University of Alicante
Daniel Maspoch - Institut Català de Nanociència i Nanotecnologia
Jose A. Suarez del Pino - Institut Català de Nanociència i Nanotecnologia
Peyman Moghadam - University of Sheffield
Rama Oktavian - University of Sheffield
Russel E. Morris - University of St Andrews
Paul S. Wheatley - University of St Andrews
Jorge Navarro - Universidad de Granada
Camille Petit - Imperial College London
David Danaci - Imperial College London
Matthew J. Rosseinsky - University of Liverpool
Alexandros P. Katsoulidis - University of Liverpool
Martin Schroder - University of Manchester
Xue Han - University of Manchester
Sihai Yang - University of Manchester
Christian Serre - ESPCI Paris
Georges Mouchaham - ESPCI Paris
David S. Sholl - Georgia Institute of Technology
Raghuram Thyagarajan - Georgia Institute of Technology
Daniel Siderius - National Institute of Standards and Technology
Randall Q. Snurr - Northwestern University
Rebecca B. Goncalves - Northwestern University
Shane Telfer - MacDiarmid Institute for Advanced Materials and Nanotechnology
Seok J. Lee - MacDiarmid Institute for Advanced Materials and Nanotechnology
Valeska P. Ting - University of Bristol
Jemma L. Rowlandson - University of Bristol
Takashi Uemura - The University of Tokyo
Tomoya Liyuka - The University of Tokyo
Monique A. van derVeen - Delft University of Technology
Davide Rega - Delft University of Technology
Veronique Van Speybroeck - Univ Ghent, Ctr Mol Modeling CMM, Technol Pk 46, B-9052 Zwijnaarde, Belgium
Sven M. J. Rogge - Univ Ghent, Ctr Mol Modeling CMM, Technol Pk 46, B-9052 Zwijnaarde, Belgium
Aran Lamaire - Univ Ghent, Ctr Mol Modeling CMM, Technol Pk 46, B-9052 Zwijnaarde, Belgium
Krista S. Walton - Georgia Institute of Technology
Lukas W. Bingel - Georgia Institute of Technology
Stefan Wuttke - Basque Ctr Mat Applicat & Nanostruct, BCMat, UPV EHU Sci Pk, Leioa 48940, Spain
Jacopo Andreo - Basque Ctr Mat Applicat & Nanostruct, BCMat, UPV EHU Sci Pk, Leioa 48940, Spain
Omar Yaghi - University of California, Berkeley
Bing Zhang - University of California, Berkeley
Cafer T. Yavuz - Korea Adv Inst Sci & Technol KAIST, Dept Chem & Biomol Engn, Daejeon 34141, South Korea
Thien S. Nguyen - Korea Adv Inst Sci & Technol KAIST, Dept Chem & Biomol Engn, Daejeon 34141, South Korea
Felix Zamora - Univ Autonoma Madrid, Dept Quim Inorgan, Madrid 28049, Spain
Carmen Montoro - Univ Autonoma Madrid, Dept Quim Inorgan, Madrid 28049, Spain
Hongcai Zhou - Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA
Angelo Kirchon - Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA
David Fairen-Jimenez - University of Cambridge
Publication Details: Advanced materials (Weinheim), Vol.34(27), pp.e2201502-n/a
Publisher: Wiley
Number of pages: 12
Grant note: 202002220216006 / Indonesian Endowment Fund for Education-LPDP Center for Information Services and High Performance Computing (ZIH) at TU Dresden UATALENTO17-05 / University of Alicante ERC-2016-COG 726380; ERC-2015-StG 677289; ERC-2017-StG 756489; 639233 / European Research Council (ERC) under the European Union; European Research Council (ERC) CRG/2019/000906 / SERB, India; Department of Science & Technology (India); Science Engineering Research Board (SERB), India 104384 / Innovate UK; UK Research & Innovation (UKRI) Alexander von Humboldt Foundation TrinityHenry Barlow Scholarship DE-FG02-08ER15967 / .S. Department of Energy; United States Department of Energy (DOE) Active Co. Research Grant ZEOBIOCHEM -872102 / European Commission through the H2020-MSCA-RISE-2019 program 12T3519N; 11D2220N / Fund for Scientific Research Flanders (FWO); FWO EP/L015978/1 / EPSRC Cambridge NanoDTC; UK Research & Innovation (UKRI); Engineering & Physical Sciences Research Council (EPSRC) 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); United States Department of Energy (DOE) DE-SC0010596 / US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; United States Department of Energy (DOE) Cambridge International Scholarship NRF-2017M3A7B4042140; NRF-2017M3A7B4042235 / National Research Foundation of Korea IAA/RG85685 / EPSRC IAA; UK Research & Innovation (UKRI); Engineering & Physical Sciences Research Council (EPSRC) RTI2018-099504-B-C21 / Spanish MICINN and AEI/FEDER SEV-2017-0706 / Spanish MINECO; Spanish Government DE-NA-0003525 / U.S. Department of Energy's National Nuclear Security Administration; National Nuclear Security Administration
Identifiers: 9941843108331
Academic Unit: King Abdullah University of Science & Technology
Language: English
Resource Type: Journal article