이온교환형 리튬망간산화물의 리튬이온 용출특성 및 전자상태

김양수; 정강섭; 이재천; Yang-Soo Kim; Kang-Sup Chung; Jae-Chun Lee

Korean Journal of Materials Research, Vol.12, No.11, 860-864, November, 2002

DOI10.3740/MRSK.2002.12.11.860 Export Citation

이온교환형 리튬망간산화물의 리튬이온 용출특성 및 전자상태

Li + Extraction Reactions with Ion-exchange type Lithium Manganese Oxide and Their Electronic Structures

김양수, 정강섭^{1, †}, 이재천¹

성균관대학교 기초과학연구소
¹한국지질자원연구원 자원활용연구부

Yang-Soo Kim, Kang-Sup Chung^{1, †}, and Jae-Chun Lee¹

Department of Physics, Institute of Basic Science, Sungkyunkwan University, Korea
¹Minerals & Materials Processing Division, Korea Institue of Geoscience and Mineral Resources(KIGAM), Korea

E-mail:

Li + extraction reactions with ion-exchange type lithium manganese oxide in an aqueous phase were examined using chemical and x-ray diffraction (XRD) analysis. In the process of extraction reaction, the lithium manganese oxide showed a topotactic extraction of Li + in the aqueous phase mainly through an ion-exchange mechanism, and the Li + extracted samples indicated a high selectivity and a large capacity for Li + . The electronic structures and chemical bonding properties were also studied using a discrete variational (DV)-X α molecular orbital method with cluster model of (Li Mn 12 O 40 ) 27? for tetrahedral sites and ( Li 7 Mn O 38 ) 3 for octahedral site in Li 1.33 Mn 1.67 / O 4 respectively. Li in the manganese oxides is highly ionized in both sites, but the net charge of Li was greater for tetrahedral sites than octahedral. These calculations suggest that the tetrahedral sites have higher Li + H + exchangeability than the octahedral sites, and are preferable for the selective adsorption for L i + ions.s.

Keywords:Li + extraction;lithium manganese oxide;electronic structure;(DV)-Xα method

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[2] Ooi K, Miyai Y, Katoh S, Sep. Sci. Technol., 22, 1779 (1988)

[3] Miyai Y, Ooi K, Katoh S, Sep. Sci. Technol., 23, 179 (1988)

[4] Thackeray MM, Johnson PJ, Picciotto LAD, David WIF, Bruce PG, Goodenough JB, Mater. Res. Bull, 19, 179 (1984)

[5] Ohzuku T, Kitagawa M, Hirai T, J. Electrochem. Soc., 137, 769 (1990)

[6] Feng Q, Miyai Y, Kanoh H, Ooi K, Langmuir, 8, 1861 (1992)

[7] Thackeray MM, Kock A, Rossouw MH, Liles D, Bittihn R, Hoge D, J. Electrochem. Soc., 139, 363 (1992)

[8] Goodenough JB, Thackeray MM, David WIF, Bruce PG, Rev. Chim. Miner., 21, 435 (1984)

[9] Ellis DE, Adachi H, Averill FW, Surf. Sci., 58, 497 (1976)

[10] Kim Y, Chung K, Lee J, Korean J. Mater. Res., 12(4), 274 (2002)

[11] Chitrakar R, Kanoh H, Miyai Y, Ooi K, Ind. Eng. Chem. Res., 40(9), 2054 (2001)

[12] Kim YS, Shin WS, Kang YS, 처음배우는 전자상태계산, 한림원 (1998) (1998)

[13] Kim YS, Chang WC, Jin YC, 양자재료화학입문, 한림원 (1999) (1999)

[14] Blasse G, Philips Res. Rep. Suppl., 3, 1 (1964)