铝合金表面电偶腐蚀与电子功函数的关系

doi:10.3866/PKU.WHXB201312272

Abstract

Abstract:

Al alloys contain some secondary phases to improve their properties. These secondary phases have different potentials to the Al matrix, which greatly affect the localized corrosion of Al alloys. In order to reveal the physical nature of Al alloy corrosion, we use the first-principles method based upon density functional theory to calculate the work function of the main secondary phases (Al₂Cu, Al₃Ti, and Al₇Cu₂Fe). The difficulty of electrons escaping from various crystal planes was analyzed, and the potential difference between the secondary phases and Al matrix was obtained. We find that different crystal planes exposed to the outmost layer significantly impacted on the potential difference. Different atomic types at the outmost layer play different roles in Al alloy corrosion, even for the same crystal surface. The causes of galvanic corrosion were thus revealed.

Key words: Al alloy, Second phase, Electronic work function, Galvanic corrosion, First-principles

MSC2000:

O647

Click here to download Supporting Info material in PDF type

WANG Jian, WANG Shao-Qing. Correlation between Galvanic Corrosion and Electronic Work Function of Al Alloy Surfaces[J].Acta Phys. -Chim. Sin., 2014, 30(3): 551-558.

References

(1) Grilli R. Corrosion Sci. 2011, 53, 1214. doi: 10.1016/j.corsci.2010.12.006
(2) Ma, J. L.;Wen, L. B.; Li, X. D.; Zhao, S. L.; Yan, Y. F. Rare Metals 2009, 28, 187. doi: 10.1007/s12598-009-0037-z
(3) Cai, J. P.; Lu, F.;Wu, X. M. J. Aeronaut. Mater. 2006, 26 (3), 271. [蔡健平, 陆峰, 吴小美. 航空材料学报, 2006, 26 (3),271.]
(4) Li, L. J. Corros. Sci. Prot. Technol. 2004, 16 (5), 342. [李丽洁. 腐蚀科学与防护技术, 2004, 16 (5), 342.]
(5) DeRose, J. A.; Suter, T.; Balkowiec, A.; Michalski, J.; Kurzydlowski, K. J.; Schmutz, P. Corrosion Sci. 2012, 55, 313. doi: 10.1016/j.corsci.2011.10.035
(6) Fratila-Apachitei, L. E.; Apachitei, I.; Duszczyk, J. Electrochim. Acta 2006, 51, 5892. doi: 10.1016/j.electacta.2006.03.027
(7) Zaldívar-Cadena, A. A.; Flores-Valdés, A. Mater. Charact. 2007, 58, 834. doi: 10.1016/j.matchar.2006.12.006
(8) Afshar, F. N.; Glenn, A. M.; deWit, J. H.W.; Terryn, H.; Mol, J. M. C. Electrochim. Acta 2013, 104, 48. doi: 10.1016/j.electacta.2013.04.080
(9) Peter; C. K.; Ivan, S. C.; Penny, A. C.; Anthony, E. H.; Tim, H. M. Corrosion Sci. 2011, 53, 1086. doi: 10.1016/j.corsci.2010.12.004
(10) Peter, C. K.; Ivan, S. C.; Penny, A. C.; Anthony, E. H.; Tim, H. M.; Sebastian, T. Corrosion Sci. 2012, 55, 116. doi: 10.1016/j.corsci.2011.10.012
(11) Guillaumin, V.; Schmutz, P.; Frankel, G. S. J. Electrochem. Soc. 2001, 148 (5), B163.
(12) Liu,W. J.; Cao, F. H.; Chen, A. N.; Chang, L. R.; Zhang, J. Q.; Cao, C. Corrosion Sci. 2010, 52, 627. doi: 10.1016/j.corsci.2009.10.031
(13) Schmutz, P.; Frankel, G. S. J. Electrochem. Soc.1998, 145 (7), 2295. doi: 10.1149/1.1838634
(14) Shao, M. H.; Fu, Y.; Hu, R. G.; Lin, C. J. Acta Phys. -Chim. Sin. 2002, 18 (4), 350. [邵敏华, 付燕, 胡融刚, 林昌健. 物理化学学报, 2002, 18 (4), 350.] doi: 10.3866/PKU.WHXB20020413
(15) Birbilis, N.; Buchheit, R. G. J. Electrochem. Soc. 2005, 152 (4), B140.
(16) Zhao, Y.; Xue,W. B.; Liu, H. F. Acta Phys. -Chim. Sin. 2011, 27 (11), 2618. [赵勇, 薛文斌, 刘宏芳. 物理化学学报, 2011, 27 (11), 2618.] doi: 10.3866/PKU.WHXB20111109
(17) Schmutz, P.; Frankel, G. S. J. Electrochem. Soc. 1998, 145 (7), 2285. doi: 10.1149/1.1838633
(18) deWit, J. H.W. Electrochim. Acta 2001, 46, 3641. doi: 10.1016/S0013-4686(01)00642-9
(19) deWit, J. H.W. Electrochim. Acta 2004, 49, 2841. doi: 10.1016/j.electacta.2004.01.045
(20) Andreatta, F.; Terryn, H.; deWit, J. H.W. Electrochim. Acta 2004, 49, 2851. doi: 10.1016/j.electacta.2004.01.046
(21) Rohwerder, M.; Turcu, F. Electrochim. Acta 2007, 53, 290. doi: 10.1016/j.electacta.2007.03.016
(22) Zhang, G. Y.; Zhang, H.; Fang, G. L.; Yang, L. N. Acta Metall. Sin. 2009, 45, 687. [张国英, 张辉, 方戈亮, 杨丽娜. 金属学报, 2009, 45, 687.]
(23) Zhang, G. Y.; Zhang, H.; Zhao, Z. F.; Li, Y. C. Acta Phys. Sin. 2006, 55, 2439. [张国英, 张辉, 赵子夫, 李昱材. 物理学报, 2006, 55, 2439.]
(24) Zhang, G. Y.; Zhang, H.; Fang, G. L.; Li, Y. C. Acta Phys. Sin. 2005, 54, 5288. [张国英, 张辉, 方戈亮, 李昱材. 物理学报, 2006, 54, 5288.]
(25) Huang, K.; Han, R. Q. Solid State physics; Higher Education Press: Beijing, 1988; pp 286-290. [黄昆, 韩汝琦. 固体物理学. 北京: 高等教育出版社, 1988: 286-290.]
(26) Fang, J. X.; Lu, D. Solid State Physics, Volume 1; Shanghai Science and Technology Press: Shanghai, 1980; pp 196-200. [方俊鑫, 陆栋. 固体物理学. 上册. 上海: 上海科学技术出版社, 1980: 196-200.]
(27) Lee, R. N.; Farnsworth H. E. Surf. Sci. 1965, 3, 461. doi: 10.1016/0039-6028(65)90026-9
(28) Blöchl, P. E. Phys. Rev. B 1994, 50, 17953. doi: 10.1103/PhysRevB.50.17953
(29) Perdew, J. P.; Burke, K. Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865. doi: 10.1103/PhysRevLett.77.3865
(30) Neugebauer, J.; Scheffler, M. Phys. Rev. B 1992, 46 (24), 16067. doi: 10.1103/PhysRevB.46.16067
(31) Singh-Miller, N. E.; Marzari, N. Phys. Rev. B 2009, 80, 235407. doi: 10.1103/PhysRevB.80.235407
(32) Grepstad, J. K.; Gartland, P. O.; Slagsvold, B. J. Surf. Sci. 1976, 57, 348. doi: 10.1016/0039-6028(76)90187-4
(33) Fall, C. J.; Binggeli, N.; Baldereschi, A. Phys. Rev. B 1998, 58 (12), R7544.
(34) Ogle, K.; Serdechnova, M.; Mokaddem, M.; Volovitch, P. Electrochim. Acta 2011, 56 (4), 1711. doi: 10.1016/j.electacta.2010.09.058
(35) Osorio,W. R.; Spinelli, J. E.; Ferreira, I. L.; Garcia, A. Electrochim. Acta 2007, 52, 3265. doi: 10.1016/j.electacta.2006.10.004
(36) Li, J. F.; Zheng, Z. Q.; Jiang, N.; Tan, C. Y. Mater. Chem. Phys. 2005, 91, 325.
(37) Liu,W. B.; Zhang, S. C.; Li, N.; Zheng, J.W.; An, S. S.; Xing, Y. L. Int. J. Electrochem. Sci. 2012, 7, 2240.
(38) Oltra, R.; Vuillemin, B.; Rechou, F.; Henon, C. Electrochem. Solid-State Lett. 2009, 12 (12), C29
(39) Gao, K.; Li, S. M.; Fu, H. Z. Adv. Mater. Lett. 2011, 2 (5), 368.
(40) Meetsma, A.; de Boer, J. L.; Van Smaalen, S. J. Solid State Chem.1989, 83, 370. doi: 10.1016/0022-4596(89)90188-6
(41) Srinivasan, S.; Desch, P. B.; Schwarz, R. B. Scr. Metall. Mater. 1991, 25, 2513. doi: 10.1016/0956-716X(91)90059-A
(42) Wang, S. C.; Starink, M. J. Int. Mater. Rev. 2005, 50, 193. doi: 10.1179/174328005X14357
(43) deWit, J. H.W. Electrochim. Acta 2004, 49, 17.

[1]	Lei FANG,Mingjun SUN,Xinrui CAO,Zexing CAO. Mechanical and Optical Properties of a Novel Diamond-Like Si(C≡C－C₆H₄－C≡C)₄ Single-Crystalline Semiconductor: a First-Principles Study [J]. Acta Phys. -Chim. Sin., 2018, 34(3): 296-302.
[2]	Yuan-Yuan LI,Xin-Xin ZHAO,Yi-Ming MI,Gai-Li SUN,Jian-Bao WU,Li-Li WANG. Effect of Y on the Properties of Graphene for Hydrogen Storage [J]. Acta Phys. -Chim. Sin., 2016, 32(7): 1658-1665.
[3]	Xiao-Qing LU,Zi-Gang ZHAO,Ke LI,Shu-Xian WEI,Yuan-Yuan QU,Yong-Qiang NIU,Xue-Feng LIU. First-Principles Investigation of the Structural and Photoelectronic Properties of CH₃NH₃Pb_xSn_1－xI₃ Mixed Perovskites [J]. Acta Phys. -Chim. Sin., 2016, 32(6): 1439-1445.
[4]	SUN Bo, LIU Hai-Feng, SONG Hai-Feng, ZHENG Hui. Microdynamics Simulations of the Hydrogen-Corrosion Resistance of Passivation Layers on Pu Surface [J]. Acta Phys. -Chim. Sin., 2015, 31(Suppl): 81-89.
[5]	Zhi-Gang. WANG,Xiang-Ming. ZENG,Yang. ZHANG,Rao. HUANG,Yu-Hua. WEN. First-Principles Study of Effect of Strain on the Band Structure of ZnO Monolayer [J]. Acta Phys. -Chim. Sin., 2015, 31(9): 1677-1682.
[6]	LI Zhen-Jiang, MA Feng-Lin, ZHANG Meng, SONG Guan-Ying, MENG A-Lan. Preparation, Field Emission Characteristics and First-Principles Calculations of La-Doped or N-Doped SiC Nanowires [J]. Acta Phys. -Chim. Sin., 2015, 31(6): 1191-1198.
[7]	AN Wei, LIU Tian-Hui, WANG Chun-Hai, DIAO Chuan-Ling, LUO Neng-Neng, LIU Yong, QI Ze-Ming, SHAO Tao, WANG Yu-Yin, JIAO Huan, TIAN Guang-Shan, JING Xi-Ping. Assignment for Vibrational Spectra of BaTiO₃ Ferroelectric Ceramic Based on the First-Principles Calculation [J]. Acta Phys. -Chim. Sin., 2015, 31(6): 1059-1068.
[8]	YANG Jian-Hui, ZHANG Shao-Zheng, JI Jia-Lin, WEI Shi-Hao. Adsorption Activities of O, OH, F and Au on Two-Dimensional Ti₂C and Ti₃C₂ Surfaces [J]. Acta Phys. -Chim. Sin., 2015, 31(2): 369-376.
[9]	HUANG Hao-Jie, XU Jiang. First-Principles Study into the Effect of Substitutional Al Alloying on the Mechanical Properties and Electronic Structure of D8₈-Ti₅Si₃ [J]. Acta Phys. -Chim. Sin., 2015, 31(2): 253-260.
[10]	Yan. SHAO,Fang-Ping. OUYANG,Sheng-Lin. PENG,Qi. LIU,Zhi-An. JIA,Hui. ZOU. First-Principles Calculations of Electronic Properties of Defective Armchair MoS₂ Nanoribbons [J]. Acta Phys. -Chim. Sin., 2015, 31(11): 2083-2090.
[11]	MI Chuan-Tong, LIU Guo-Ping, WANG Jia-Jia, GUO Xin-Li, WU San-Xie, YU Jin. First-Principles Calculations of the Adsorption of Au, Ag and Cu Atoms on Defected Graphene [J]. Acta Phys. -Chim. Sin., 2014, 30(7): 1230-1238.
[12]	FU Zhao-Ming, WANG Ming-Yang, ZHANG Yan-Xing, ZHANG Na, YANG Zong-Xian. First-Principles Study on the Microstructure of Triple-Phase Boundaries in the Ni/Yttria-Stabilized Zirconia Anode [J]. Acta Phys. -Chim. Sin., 2014, 30(6): 1055-1060.
[13]	CHENG He-Ping, CHEN Guang-Hua, QIN Rui, DAN Jia-Kun, HUANG Zhi-Meng, PENG Hui, CHEN Tu-Nan, LEI Jiang-Bo. Electronic Structures and Optical Properties of Poly(vinylidene fluoride) Crystals [J]. Acta Phys. -Chim. Sin., 2014, 30(2): 281-288.
[14]	ZOU Ai-Hua, XU Jiang, HUANG Hao-Jie. Effects of the Alloying Elements Ti, Cr, Al and B on the Mechanical Properties and Electronic Structure of α-Nb₅Si₃ [J]. Acta Phys. -Chim. Sin., 2014, 30(2): 289-296.
[15]	CUI Jian-Gong, ZHANG Xia, YAN Xin, LI Jun-Shuai, HUANG Yong-Qing, REN Xiao-Min. Electronic Structure Modulation of GaAs Nanowires by Surface Modification [J]. Acta Phys. -Chim. Sin., 2014, 30(10): 1841-1846.

Correlation between Galvanic Corrosion and Electronic Work Function of Al Alloy Surfaces

PDF (PC)

Like

Knowledge

Abstract

Supporting Info

Cite this article

share this article

References

Related Articles 15

Metrics

Comments

Recommended 10