Iron Impurity Impairs the CO2 Capture Performance of MgO: Insights from Microscopy and Machine Learning Molecular Dynamics.

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Title: Iron Impurity Impairs the CO2 Capture Performance of MgO: Insights from Microscopy and Machine Learning Molecular Dynamics.
Authors: Yuan K; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States., Rampal N; Quantum Simulation Group, Lawrence Livermore National Laboratory, Livermore, California 94550, United States., Adapa S; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States., Evans BR; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States., Bracco JN; School of Earth and Environmental Sciences, Queens College, New York, New York 11367, United States., Boebinger MG; Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States., Stack AG; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States., Weber J; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.
Source: ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2024 Nov 20; Vol. 16 (46), pp. 64233-64243. Date of Electronic Publication: 2024 Nov 11.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101504991 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1944-8252 (Electronic) Linking ISSN: 19448244 NLM ISO Abbreviation: ACS Appl Mater Interfaces Subsets: MEDLINE; PubMed not MEDLINE
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  Data: Iron Impurity Impairs the CO<subscript>2</subscript> Capture Performance of MgO: Insights from Microscopy and Machine Learning Molecular Dynamics.
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  Data: <searchLink fieldCode="AU" term="%22Yuan+K%22">Yuan K</searchLink>; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.<br /><searchLink fieldCode="AU" term="%22Rampal+N%22">Rampal N</searchLink>; Quantum Simulation Group, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.<br /><searchLink fieldCode="AU" term="%22Adapa+S%22">Adapa S</searchLink>; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.<br /><searchLink fieldCode="AU" term="%22Evans+BR%22">Evans BR</searchLink>; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.<br /><searchLink fieldCode="AU" term="%22Bracco+JN%22">Bracco JN</searchLink>; School of Earth and Environmental Sciences, Queens College, New York, New York 11367, United States.<br /><searchLink fieldCode="AU" term="%22Boebinger+MG%22">Boebinger MG</searchLink>; Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.<br /><searchLink fieldCode="AU" term="%22Stack+AG%22">Stack AG</searchLink>; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.<br /><searchLink fieldCode="AU" term="%22Weber+J%22">Weber J</searchLink>; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.
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  Data: <searchLink fieldCode="JN" term="%22101504991%22">ACS applied materials & interfaces</searchLink> [ACS Appl Mater Interfaces] 2024 Nov 20; Vol. 16 (46), pp. 64233-64243. <i>Date of Electronic Publication: </i>2024 Nov 11.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101504991 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1944-8252 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2219448244%22">19448244 </searchLink><i>NLM ISO Abbreviation: </i>ACS Appl Mater Interfaces <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1021/acsami.4c13597
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              Text: 2024 Nov 20
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