Structure Disorder and Magnetic Behavior of an Olivine-Type Material

Disciplines

Biological Factors | Organic Chemicals

Abstract (300 words maximum)

Structure Disorder and Magnetic Behavior of an Olivine-Type Material

Hamida Hassan1, Huibo Cao2, Bryan Chakoumakos2, Madalynn Marshall3

1Kennesaw State University, Department of Department of Molecular and Cellular Biology, Kennesaw, Georgia 30144, USA

2Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA

3Kennesaw State University, Department of Chemistry and Biochemistry, Kennesaw, Georgia 30144, USA

Neutron diffraction is a powerful tool for investigating the Li content and site disorder for battery material like Li(Mn,Fe)PO4. The scattering length of neutrons varies significantly across the periodic table providing a unique sensitivity to lighter elements and elements with similar atomic mass. This allows for a more nuanced understanding of the mixed Mn and Fe occupancy on the atomic 4c site of Li(Mn,Fe)PO4 which crystallizes in the Pnma space groups. This knowledge is vital for optimizing the electrochemical performance of these materials in lithium batteries. In this study, we explore the solid-solution Li(Mn,Fe)PO4, which is a promising battery material due to its operation at a desirable voltage. From neutron diffraction measurements we will reveal the structural disorder of the mixed Mn/Fe occupancy on the 4c atomic site and the localization and quantity of Li in Li(Mn,Fe)PO4. Additionally, the magnetic structure of Li(Mn,Fe)PO4 will be discussed where below TN ~ 50 K, the magnetic scattering was found to correspond to the wavevector k = 0.

Academic department under which the project should be listed

CSM - Molecular and Cellular Biology

Primary Investigator (PI) Name

Madalynn Marshall

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Structure Disorder and Magnetic Behavior of an Olivine-Type Material

Structure Disorder and Magnetic Behavior of an Olivine-Type Material

Hamida Hassan1, Huibo Cao2, Bryan Chakoumakos2, Madalynn Marshall3

1Kennesaw State University, Department of Department of Molecular and Cellular Biology, Kennesaw, Georgia 30144, USA

2Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA

3Kennesaw State University, Department of Chemistry and Biochemistry, Kennesaw, Georgia 30144, USA

Neutron diffraction is a powerful tool for investigating the Li content and site disorder for battery material like Li(Mn,Fe)PO4. The scattering length of neutrons varies significantly across the periodic table providing a unique sensitivity to lighter elements and elements with similar atomic mass. This allows for a more nuanced understanding of the mixed Mn and Fe occupancy on the atomic 4c site of Li(Mn,Fe)PO4 which crystallizes in the Pnma space groups. This knowledge is vital for optimizing the electrochemical performance of these materials in lithium batteries. In this study, we explore the solid-solution Li(Mn,Fe)PO4, which is a promising battery material due to its operation at a desirable voltage. From neutron diffraction measurements we will reveal the structural disorder of the mixed Mn/Fe occupancy on the 4c atomic site and the localization and quantity of Li in Li(Mn,Fe)PO4. Additionally, the magnetic structure of Li(Mn,Fe)PO4 will be discussed where below TN ~ 50 K, the magnetic scattering was found to correspond to the wavevector k = 0.