2010
DOI: 10.1016/j.jallcom.2009.11.160
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Electronic structure of Ti4Fe2O as determined from first-principles APW + LO calculations and X-ray spectroscopy data

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Cited by 14 publications
(5 citation statements)
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“…1c and d for the samples hydrogenated after the first activation). Observed improvement of the hydrogenation activity for the sintered Ti 1.1 Fe 0.9 O x material should be credited to the formation of easy hydrogenated Ti 4 Fe 2 O 1−x and ␤-Ti acting as hydrogen transfer catalysts, as also observed in [6,20,22]. The improvement of the activation performance of Ti 1.15 Fe doped by 0.35-0.7 wt.% oxygen (introduced as Fe 2 O 3 ) was also observed by Wakabayashi et al [12].…”
Section: Resultsmentioning
confidence: 57%
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“…1c and d for the samples hydrogenated after the first activation). Observed improvement of the hydrogenation activity for the sintered Ti 1.1 Fe 0.9 O x material should be credited to the formation of easy hydrogenated Ti 4 Fe 2 O 1−x and ␤-Ti acting as hydrogen transfer catalysts, as also observed in [6,20,22]. The improvement of the activation performance of Ti 1.15 Fe doped by 0.35-0.7 wt.% oxygen (introduced as Fe 2 O 3 ) was also observed by Wakabayashi et al [12].…”
Section: Resultsmentioning
confidence: 57%
“…Summary of the obtained data on the phase-structural composition of the samples is presented in Table 1 and is given together with relevant reference information on the constituent phases [20,22,[27][28][29][30][31]. The XRD pattern of the initial alloys and their corre- (9) sponding hydrides 1 were refined using the GSAS software and are shown in Fig.…”
Section: Resultsmentioning
confidence: 99%
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“…In addition, well-resolved peaks of hsuboxide, [14,16]: a ¼ 11.33e11.35 A for x ¼ 0e0.75) were observed. Although the patterns did not exhibit well-resolved peaks of C14-TiFe 2 (space group P6 3 mmc (194)), an increased background was observed in 2q ranges characteristic for the most intensive peaks of this compound (40e50 and 70e80 ), and the fit was better assuming the presence of this phase whose lattice periods were fixed as values characteristic for maximum Ti concentration in the homogeneity region (a ¼ 4.82 A, c ¼ 7.84 A [21]).…”
Section: Resultsmentioning
confidence: 92%