Structural study of biotic and abiotic poorly-crystalline manganese oxides using atomic pair distribution function analysis

Zhu, Mengqiang; Farrow, Christopher L.; Post, Jeffrey E.; Livi, Kenneth J. T.; Billinge, Simon J. L.; Ginder‐Vogel, Matthew; Sparks, Donald L.

doi:10.1016/j.gca.2011.12.006

Cited by 71 publications

(119 citation statements)

References 66 publications

(118 reference statements)

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“…The detailed procedure was described in Zhu et al [33]. The experimental PDFs were modeled with the software PDFgui [34].…”

Section: Pair Distribution Function (Pdf) Analysismentioning

confidence: 99%

“…However, this is challenging because V may not form a periodic structure in these solids. Considering the high similarity between the PDFs of V-containing birnessites and the pristine HB, the AcidBir model from Zhu et al [33] but with a fixed a/b ratio of 1.732 was used as a simplified model to fit the V-containing birnessites, with the only presence of interlayer K + and its associated water molecules to account for all the interlayer and/or surface species, including Mn 2+/3+ and V species. The results of the fits are depicted in Fig.…”

Section: Pdf Analysismentioning

confidence: 99%

See 1 more Smart Citation

Structure and properties of vanadium(V)-doped hexagonal turbostratic birnessite and its enhanced scavenging of Pb2+ from solutions

Yin

Feng

Tan

et al. 2015

Journal of Hazardous Materials

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“…The detailed procedure was described in Zhu et al [33]. The experimental PDFs were modeled with the software PDFgui [34].…”

Section: Pair Distribution Function (Pdf) Analysismentioning

confidence: 99%

Section: Pdf Analysismentioning

confidence: 99%

Structure and properties of vanadium(V)-doped hexagonal turbostratic birnessite and its enhanced scavenging of Pb2+ from solutions

Yin

Feng

Tan

et al. 2015

Journal of Hazardous Materials

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“…Cation vacancies in the MnO 2 sheet, Mn(III) substitution for Mn(IV), and undercoordinated oxygen atoms at particle edges (Lanson et al, 2002b;Manceau et al, 2002Manceau et al, , 2013Villalobos et al, 2006;Bargar et al, 2009;Zhu et al, 2012) lead to various surface complex configurations for trace metals, as illustrated in vacancy sites (e.g., Drits et al, 2002;Lanson et al, 2002b;Manceau et al, 2002Manceau et al, , 2007Toner et al, 2006;Peacock and Sherman, 2007;Peacock, 2009;Peñ a et al, 2010), with significantly fewer studies addressing the reactivity of particle edges (Villalobos et al, 2005(Villalobos et al, , 2014Takahashi et al, 2007;Kwon et al, 2010;Wang et al, 2012).…”

Section: Introductionmentioning

confidence: 99%

“…Recent structural models for d-MnO 2 , a synthetic analog of natural birnessite, include 0.05-0.30 mol Mn(III) mol À1 Mn incorporated into the MnO 2 sheet or adsorbed above and below vacancy sites (Grangeon et al, 2008;Zhu et al, 2012;Manceau et al, 2013). The adsorption of Mn(III) at vacancy sites could render these sites less available to adsorb other metals, thus forcing increased trace metal sorption at particle edges.…”

Section: Introductionmentioning

confidence: 99%

Probing the sorption reactivity of the edge surfaces in birnessite nanoparticles using nickel(II)

Simanova

Kwon

Bone

et al. 2015

Geochimica et Cosmochimica Acta

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Birnessite minerals are layer-type manganese oxides characterized by large surface areas, the presence of cation vacancy sites and varying amounts of structural and adsorbed Mn(III). In this study, we identify the conditions that favor trace metal adsorption on the edge surfaces of birnessite nanoparticles by using Ni as a probe ion for Ni K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy and geometry optimizations based on density function theory (DFT). In d-MnO 2 nanoparticles free of Mn(II,III) at pH 6.6, Ni was adsorbed primarily at vacancy sites, with a minor fraction of Ni present as a double-edge sharing (DES) or a double-corner sharing (DCS) complex at surface loadings exceeding the vacancy content. In Mn(III)-rich d-MnO 2 nanoparticles, about 80% of the adsorbed Ni formed a mixture of DES and DCS complexes at particle edges in samples with loadings ranging from 0.01 to 0.08 mol Ni mol À1 Mn, with only a small fraction of vacancy sites available to adsorb Ni. The presence of Mn(III) at the nanoparticle edges also changed the architecture of the DES complex, causing the Ni octahedra to adsorb onto the cavity formed between two Mn(III) octahedra at the particle edges. The EXAFS-derived Ni-Mn interatomic distances of 3.01-3.05 Å for this "flipped" Ni-DES complex were in excellent agreement with those obtained by DFT geometry optimization. Edge surfaces on birnessite nanoparticles have a lower affinity for trace metals than vacancy sites, but have a moderate sorption capacity (ca. 0.14 mol Ni mol À1 Mn at vacancies vs. 0.06 mol Ni mol À1 Mn at edge surfaces). Finally, although Mn(III) increases the relative proportion of Ni adsorbed at particle edges by blocking sorption sites on the basal surface, the overall sorption capacity of the mineral diminishes significantly.

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“…Minerals contain varying amounts of both Mn(III) and Mn(IV), with poorly crystalline manganite, vernadite and birnessite minerals as most abundant minerals (Friedl et al, 1997;Zhu et al, 2012). Similarly to iron cycling, biotic manganese oxidation and reduction are commonly encountered processes in soils and sediments.…”

Section: Dissimilatory Manganese Reductionmentioning

confidence: 99%

Extracellular Electron Transfer in in situ Petroleum Hydrocarbon Bioremediation

Scherr¹

2013

Hydrocarbon

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Structural study of biotic and abiotic poorly-crystalline manganese oxides using atomic pair distribution function analysis

Cited by 71 publications

References 66 publications

Structure and properties of vanadium(V)-doped hexagonal turbostratic birnessite and its enhanced scavenging of Pb2+ from solutions

Structure and properties of vanadium(V)-doped hexagonal turbostratic birnessite and its enhanced scavenging of Pb2+ from solutions

Probing the sorption reactivity of the edge surfaces in birnessite nanoparticles using nickel(II)

Extracellular Electron Transfer in in situ Petroleum Hydrocarbon Bioremediation

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