Reversible Electrochemical Interface of Mg Metal and Conventional Electrolyte Enabled by Intermediate Adsorption

Autor: Wang, H, Feng, X, Chen, Y, Liu, YS, Han, KS, Zhou, M, Engelhard, MH, Murugesan, V, Assary, RS, Liu, TL, Henderson, W, Nie, Z, Gu, M, Xiao, J, Wang, C, Persson, K, Mei, D, Zhang, JG, Mueller, KT, Guo, J, Zavadil, K, Shao, Y, Liu, J

Publikováno v: ACS Energy Letters, vol 5, iss 1

Conventional electrolytes made by mixing simple Mg2+ salts and aprotic solvents, analogous to those in Li-ion batteries, are incompatible with Mg anodes because Mg metal readily reacts with such electrolytes, producing a passivation layer that blocks

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::15f7eea5c87fb4e09baf797401c9c982
https://escholarship.org/uc/item/95h1419d

Publisher Correction: An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations.

Autor: Noh J; Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, WA, 99354, USA., Doan HA; Materials Science Division, Argonne National Laboratory, Lemont, IL, 60439, USA. hadoan@anl.gov., Job H; Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, WA, 99354, USA., Robertson LA; Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL, 60439, USA., Zhang L; Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL, 60439, USA., Assary RS; Materials Science Division, Argonne National Laboratory, Lemont, IL, 60439, USA., Mueller K; Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA, 99354, USA., Murugesan V; Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA, 99354, USA. vijay@pnnl.gov., Liang Y; Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, WA, 99354, USA. yangang.liang@pnnl.gov.

Publikováno v: Nature communications [Nat Commun] 2024 Apr 11; Vol. 15 (1), pp. 3150. Date of Electronic Publication: 2024 Apr 11.

E min : A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability.

Autor: Lee AS; Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States., Elliott S; Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Harb H; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Ward L; Data Science and Learning Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Foster I; Data Science and Learning Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Curtiss L; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Assary RS; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States.

Publikováno v: Journal of chemical information and modeling [J Chem Inf Model] 2024 Feb 26; Vol. 64 (4), pp. 1277-1289. Date of Electronic Publication: 2024 Feb 15.

Active Learning Guided Computational Discovery of Plant-Based Redoxmers for Organic Nonaqueous Redox Flow Batteries.

Autor: Jain A; Joint Center for Energy Storage Research (JCESR), Argonne National Laboratory, Lemont, Illinois 60439, United States.; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Shkrob IA; Joint Center for Energy Storage Research (JCESR), Argonne National Laboratory, Lemont, Illinois 60439, United States.; Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Doan HA; Joint Center for Energy Storage Research (JCESR), Argonne National Laboratory, Lemont, Illinois 60439, United States.; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Adams K; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Moore JS; Department of Chemistry, University of Illinois Urbana-Champaign, Urbana, Illinois 61801, United States.; Beckman Institute for Advanced Science and Technology and Cancer Center at Illinois, University of Illinois Urbana-Champaign, Urbana, Illinois 61801, United States., Assary RS; Joint Center for Energy Storage Research (JCESR), Argonne National Laboratory, Lemont, Illinois 60439, United States.; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States.

Publikováno v: ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2023 Dec 20; Vol. 15 (50), pp. 58309-58319. Date of Electronic Publication: 2023 Dec 10.

Coordination-Dependent Chemical Reactivity of TFSI Anions at a Mg Metal Interface.

Autor: Prabhakaran V; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Agarwal G; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Howard JD; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Wi S; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Shutthanandan V; Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Nguyen DT; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Soule L; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Johnson GE; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Liu YS; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Advanced Light Source, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720, United States., Yang F; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Advanced Light Source, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720, United States., Feng X; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Advanced Light Source, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720, United States., Guo J; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Advanced Light Source, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720, United States., Hankins K; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Curtiss LA; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Mueller KT; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Pacific Northwest National Laboratory, Richland, Washington 99352, United States., Assary RS; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States., Murugesan V; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois, 60439, United States.; Pacific Northwest National Laboratory, Richland, Washington 99352, United States.

Publikováno v: ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2023 Feb 08; Vol. 15 (5), pp. 7518-7528. Date of Electronic Publication: 2023 Jan 30.