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Condens. Matter 2019, 4, x FOR PEER REVIEW CoCnodnednesn.sM. Matatetrer22002109,,54,,1x9FOR PEER REVIEW 7 of 10 7 o7fo1f010 Figure 6. Simple fitting of the data to extract the MnO model with lattice constant a = 4.56 Å. Figure 6. Simple fitting of the data to extract the MnO model with lattice constant a = 4.56 Å. Figure 6. Simple fitting of the data to extract the MnO model with lattice constant a = 4.56 Å. Figure 7. Structural cubic model of MnO. Figure 7. Structural cubic model of MnO. Figure 7. Structural cubic model of MnO. Our results are quite different from those for synthetic crystalline MnO2 birnessite obtained by Our results are quite different from those for synthetic crystalline MnO2 birnessite obtained by PetkovO[u2r5r],ewsuhltesrearsehqarupiteBrdaigffgerpeenatkfsroamretfihtotesedfworitshyantmheotdicelcrbyasteadllionneaMhneOxa2gboirnaelslsaiteticoebrtaitnhedrtbhyan Petkov [25], where sharp Bragg peaks are fitted with a model based on a hexagonal lattice rather than thPetckuobvic[2m5]o,dwehleirnevsohkaerdpiBnraogugrpceaaske.sPareetkfiottved[2w5]ithaasmalosodeslhboawsendtohnatavheerxyadgoiffnualselaXttRicDe rpatahtteerrtnhsanfor the cubic model invoked in our case. Petkov [25] has also shown that very diffuse XRD patterns for btahcetecruiablicanmdofduenlginalvMokneOd incaonurbecadse.scPreibtkeodvw[2it5h] hmaosnaolscolinshicoawnndtthraictlvineircyladtitfifcuesse. XRD patterns for x bacterial and fungal MnOx can be described with monoclinic and triclinic lattices. bacterial and fungal MnOx can be described with monoclinic and triclinic lattices. 4. Conclusions 3. Conclusions 3. Conclusions MnO nanoparticles have attracted much interest due to their potential applications in many fields. MnO nanoparticles have attracted much interest due to their potential applications in many In thisMwnoOrkn,awnoepuasretidclHesEh-XavReDaattrathcteedSPmriuncgh-8insytenrcehstrodturoentofatchileiitryptotexntrialctapimplpicoartiaontsoicntamhaendyral fields. In this work, we used HE-XRD at the SPring-8 synchrotron facility to extract important infifeolrdms.aItnionth,idsewspoirtke,thweechuaselldenHgiEn-gXRsmDaalltstihzeoSPfrthinegn-8ansoypncahrtrioctlreosn(afbaociulity10tonmex)tarancdttihmepeoffrteacnttof octahedral information, despite the challenging small size of the nanoparticles (about 10 nm) and the doecptoashietidornaloinfthoremsuatbisotnra, dtee,swpihtiecthreecshualtlsleingaingglassmsyaltlhsiinzefilomf tahse inadnicoaptaerdtibclyesou(arbXo-urta1y0mnemas) uarnedmtehnets. effect of deposition on the substrate, which results in a glassy thin film as indicated by our X-ray OeuffreactnaolfydsiesproesviteioanlsothnathMensuabtsotmrastea,rwehmicohstrleysuplrtesseintainglanssyoctthaihnefdilrmallayscionodridcainteadtebdyMonuOrX6-froarym, measurements. Our analysis reveals that Mn atoms are mostly present in an octahedrally coordinated comnesaisuternetmweniths.aOcuurbaincaplyhsaiserewveitahlsathlattMicencaotonmstsanarteomf aos=tly4.p5r6eÅse,nwt ihnicahn oisctmahoedirfiaeldlybcyoosridginiafitceadnt MnO6 form, consistent with a cubic phase with a lattice constant of a = 4.56 Å, which is modified by MnO6 form, consistent with a cubic phase with a lattice constant of a = 4.56 Å, which is modified by glass-like disorder effects. In this way, atomic PDF analysis of HE-XRD data can be used to characterize significant glass-like disorder effects. In this way, atomic PDF analysis of HE-XRD data can be used significant glass-like disorder effects. In this way, atomic PDF analysis of HE-XRD data can be used structural and disorder properties of MnO nanocrystalline materials used in battery and air purification to characterize structural and disorder properties of MnO nanocrystalline materials used in battery to characterize structural and disorder properties of MnO nanocrystalline materials used in battery applications. Clearly, a fundamental understanding of the redox reactions and their relationship with and air purification applications. Clearly, a fundamental understanding of the redox reactions and and air purification applications. Clearly, a fundamental understanding of the redox reactions and magnetism occurring at the MnO6 sites requires a robust extraction of the octahedron size [47]. their relationship with magnetism occurring at the MnO6 sites requires a robust extraction of the their relationship with magnetism occurring at the MnO6 sites requires a robust extraction of the octahedron size [47]. Supplementary Materials: The following are available online at http://www.mdpi.com/2410-3896/5/1/19/s1, octahedron size [47]. Figure S1: FFT images for several individual NPs including plane-spacing calculations; Figure S2: Comparison of expSeuripmpelnetmaleGn(tra)rwyitMhathtercioarlrse:sTphoendfoinlgloswiminuglaaterde raevsauilltasbfloeroanhlyinpeotahtetwicwalw57.matdopmi.(croemlax/xedxx)/Ms1n,OFicglusrterS.1: Supplementary Materials: The following are available online at www.mdpi.com/xxx/s1, Figure S1: Commente Commented [ FFT images for several individual NPs including plane-spacing calculations; Figure S2: Comparison confirm. confirm. Author Contributions: Conceptualization K.P., B.B., and S.K. Experiments Y.V.K., K.O., E.C.-A., J.G., and S.K. FFT images for several individual NPs including plane-spacing calculations; Figure S2: Comparison TheofryexapnedrcimalceunltatlioGns(rK).wP.,itBh.Bt.h,eancdorAr.eBs.pAolnldauinthgosrismcounlatrtiebdutreedstuoltshefowrraitihnygpooftthetmicanlu5s7craitpotm. A(lrlealuatxheodr)s of experimental G(r) with the corresponding simulated results for a hypothetical 57 atom (relaxed) have read and agreed to the published version of the manuscript. MnO cluster. MnO cluster. Funding: The work at LUT university was supported by the project Puhdas Ilma from the PROFI 5 support of Academy of Finland (Grant no. 326325). The work at Northeastern University was supported by the US dPDF Image | Structure of Manganese Oxide Nanoparticles Extracted via Pair Distribution Functions
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