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Structures, stabilities and work functions of alkali-metal-adsorbed boron α 1-sheets

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Abstract

In this study, we employed the density functional theory method to simulate Li-, Na- and K-adsorbed boron α1-sheets(α1-BSTs). After optimizing possible structures, we investigated their thermodynamic stabilities, barriers for metal atom diffusion on the substrate, and work functions. The computed results indicate that the work function of α1-BST decreases significantly after the adsorption of Li, Na and K. Furthermore, under high hole coverage, these alkali-metal-adsorbed α1-BSTs have lower work functions than the two-dimensional materials of greatest concern and the commonly used electrode materials Ca and Mg. Therefore, the Li-, Na- and K-adsorbed α1-BSTs are potential low-work-function nanomaterials.

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References

  1. Gupta A., Sakthivel T., Seal S., Prog. Mater. Sci., 2015, 73, 44

    Article  CAS  Google Scholar 

  2. Bianco E., Butler S., Jiang S. S., Restrepo O. D., Windl W., Gold-berger J. E., ACS Nano, 2013, 7(5), 4414

    Article  CAS  Google Scholar 

  3. Aufray B., Kara A., Vizzini S., Oughaddou H., Léandri C., Ealet B., Le Lay G., Appl. Phys. Lett., 2010, 96(18), 183102

    Article  Google Scholar 

  4. Vogt P., de Padova P., Quaresima C., Avila J., Frantzeskakis E., Asensio M. C., Resta A., Ealet B., Le Lay G., Phys. Rev. Lett., 2012, 108(15), 155501

    Article  Google Scholar 

  5. Zhu F. F., Chen W. J., Xu Y., Gao C. L., Guan D. D., Liu C. H., Qian D., Zhang S. C., Jia J. F., Nat. Mater., 2015, 14, 1020

    Article  CAS  Google Scholar 

  6. Reich E. S., Nature, 2014, 506(7486), 19

    Article  Google Scholar 

  7. Zhu Y. W., Murali S., Cai W. W., Li X. S., Suk J. W., Potts J. R., Ruoff R. S., Adv. Mater., 2010, 22(35), 3906

    Article  CAS  Google Scholar 

  8. Eigler S., Hirsch A., Angew. Chem. Int. Ed., 2014, 53(30), 7720

    Article  CAS  Google Scholar 

  9. Zhu Y., James D. K., Tour J. M., Adv. Mater., 2012, 24(36), 4924

    Article  CAS  Google Scholar 

  10. Weiss N. O., Zhou H. L., Liao L., Liu Y., Jiang S., Huang Y., Duan X. F., Adv. Mater., 2012, 24(43), 5782

    Article  CAS  Google Scholar 

  11. Huang Y., Liang J. J., Chen Y. S., Small, 2012, 8(12), 1805

    Article  CAS  Google Scholar 

  12. Zhu J. X., Yang D., Yin Z. Y., Yan Q. Y., Zhang H., Small, 2014, 10(17), 3480

    Article  CAS  Google Scholar 

  13. Ji L. W., Meduri P., Agubra V., Xiao X. C., Acoutlabi M., Adv. Energy Mater., 2016, 6(16), 1502159

    Article  Google Scholar 

  14. Mortazavi B., Dianat A., Cuniberti G., Rabczuk T., Electrochim. Ac-ta, 2016, 213, 865

    Article  CAS  Google Scholar 

  15. Lau K. C., Pandey R., J. Phys. Chem. B, 2008, 112(33), 10217

    Article  CAS  Google Scholar 

  16. Penev E. S., Bhowmick S., Sadrzadeh A., Yakoson B. I., Nano Lett., 2012, 12(5), 2441

    Article  CAS  Google Scholar 

  17. Wu X. J., Dai J., Zhao Y., Zhuo Z. W., Yang J. L., Zeng X. C., ACS Nano, 2012, 6(8), 7443

    Article  CAS  Google Scholar 

  18. Yu X., Li L. L., Xu X. W., Tang C. C., J. Phys. Chem. C, 2012, 116(37), 20075

    Article  CAS  Google Scholar 

  19. Er S., de Wijs G. A., Brocks G., J. Phys. Chem. C, 2009, 113(43), 18962

    Article  CAS  Google Scholar 

  20. Lau K. C., Pandey R., J. Phys. Chem. C, 2007, 111(7), 2906

    Article  CAS  Google Scholar 

  21. Zheng B., Yu H. T., Lian Y. F., Xie Y., Chem. Phys. Lett., 2016, 648, 81

    Article  CAS  Google Scholar 

  22. Galeev T. R., Chen Q., Guo J. C., Bai H., Miao C. Q., Lu H. G., Sergeeva A. P., Li S. D., Boldyrev A. I., Phys. Chem. Chem. Phys., 2011, 13, 11575

    Article  CAS  Google Scholar 

  23. Zheng B., Yu H. T., Xie Y., Lian Y. F., ACS Appl. Mater. Interfaces, 2014, 6(22), 19690

    Article  CAS  Google Scholar 

  24. Tang H., Ismail Beigi S., Phys. Rev. Lett., 2007, 99(11), 115501

    Article  Google Scholar 

  25. Li G. Q., Appl. Phys. Lett., 2009, 94(19), 193116

    Article  Google Scholar 

  26. Piazza Z. A., Hu H. S., Li W. L., Zhao Y. F., Li J., Wang L. S., Nat. Commun., 2014, 5, 3113

    Article  Google Scholar 

  27. Li W. L., Chen Q., Tian W. J., Bai H., Zhao Y. F., Hu H. S., Li J., Zhai H. J., Li S. D., Wang L. S., J. Am. Chem. Soc., 2014, 136(35), 12257

    Article  CAS  Google Scholar 

  28. Marchi M., Azadi S., Sorella S., Phys. Rev. Lett., 2011, 107(8), 086807

    Article  Google Scholar 

  29. Liu H. S., Gao J. F., Zhao J. J., Sci. Rep., 2013, 3, 3238

    Article  Google Scholar 

  30. Tai G. A., Hu T. S., Zhou Y. G., Wang X. F., Kong J. Z., Zeng T., You Y. C., Wang Q., Chem. Int. Ed., 2015, 54(51), 15473

    Article  CAS  Google Scholar 

  31. Mannix A. J., Zhou X. F., Kiraly B., Wood J. D., Alducin D., Myers B. D., Liu X. L., Fisher B. L., Santiago U., Guest J. R., Yacaman M. J., Ponce A., Oganov A. R., Hersam M. C., Guisinger N. P., Science, 2015, 350(6267), 1513

    Article  CAS  Google Scholar 

  32. Feng B. J., Zhang J., Zhong Q., Li W. B., Li S., Li H., Cheng P., Meng S., Chen L., Wu K. H., Nat. Chem., 2016, 8(6), 563

    Article  CAS  Google Scholar 

  33. Li X. B., Xie S. Y., Zheng H., Tian W. Q., Sun H. B., Nanoscale, 2015, 7(45), 18863

    Article  CAS  Google Scholar 

  34. Zhang H., ACS Nano, 2015, 9(10), 9451

    Article  CAS  Google Scholar 

  35. Banerjee S., Periyasamy G., Pati S. K., J. Mater. Chem. A, 2014, 2, 3856

    Article  CAS  Google Scholar 

  36. Eda G., Unalan H. E., Rupesinghe N., Amartunga G. A. J., Chho-walla M., Appl. Phys. Lett., 2008, 93(23), 233502

    Article  Google Scholar 

  37. Bekyarova E., Itkis M. E., Ramesh P., Berger C., Sprinkle M., de Heer W. A., Haddon R. C., J. Am. Chem. Soc., 2009, 131(4), 1336

    Article  CAS  Google Scholar 

  38. Wang H. B., Maiyalagan T., Wang X., ACS Catal., 2012, 2(5), 781

    Article  CAS  Google Scholar 

  39. Shi Z. M., Zhang Z. H., Kutana A., Yakobson B. I., ACS Nano, 2015, 9(10), 9802

    Article  CAS  Google Scholar 

  40. Ding Y., Wang Y. L., J. Phys. Chem. C, 2014, 118(8), 4509

    Article  CAS  Google Scholar 

  41. Pandey M., Rasmussen F. A., Kuhar K., Olsen T., Jacobsen K. W., Thygesen K. S., Nano Lett., 2016, 16(4), 2234

    Article  CAS  Google Scholar 

  42. Yildirim H., Kinaci A., Zhao Z. J., Chan M. K. Y., Greeley J. P., ACS Appl. Mater. Interfaces, 2014, 6(23), 21141

    Article  CAS  Google Scholar 

  43. Zhou L. J., Hou Z. F., Wu L. M., J. Phys. Chem. C, 2012, 116(41), 21780

    Article  CAS  Google Scholar 

  44. Sahin H., Peeters F. M., Phys. Rev. B, 2013, 87(8), 085423

    Article  Google Scholar 

  45. Xu B., Lu H. S., Liu B., Liu G., Wu M. S., Ouyang C. Y., Chin. Phys. B, 2016, 25(6), 067103

    Article  Google Scholar 

  46. Pang Q., Li L., Zhang L. L., Zhang C. L., Song Y. L., Can. J. Phys., 2015, 93(11), 1310

    Article  CAS  Google Scholar 

  47. Pang Q., Li L., Zhang C. L., Wei X. M., Song Y. L., Mater. Chem. Phys., 2015, 160, 96

    Article  CAS  Google Scholar 

  48. Hao J. H., Wang Z. J., Wang Y. F., Yin Y. H., Jiang R., Jin Q. H., Solid State Sci., 2015, 50, 69

    Article  CAS  Google Scholar 

  49. Yu Y. J., Zhao Y., Ryu S., Brus L. E., Kim K. S., Kim P., Nano Lett., 2009, 9(10), 3430

    Article  CAS  Google Scholar 

  50. Liang Q. H., Jiang J. K., Meng R. S., Ye H. Y., Tan C. J., Yang Q., Sun X., Yang D. G., Chen X. P., Phys. Chem. Chem. Phys., 2016, 18(24), 16386

    Article  CAS  Google Scholar 

  51. Shi Y. M., Kim K. K., Reina A., Hofmann M., Li L. J., Kong J., ACS Nano, 2010, 4(5), 2689

    Article  CAS  Google Scholar 

  52. Cho Y., Sohn A., Kim S., Hahm M. G., Kim D. H., Cho B., Kim D. W., ACS Appl. Mater. Interfaces, 2016, 8(33), 21612

    Article  CAS  Google Scholar 

  53. Xia S. H., Liu L., Kong Y. K., Wang H. G., Wang M. S., Appl. Surf. Sci., 2016, 387, 1110

    Article  CAS  Google Scholar 

  54. Kwon K. C., Choi K. S., Kim B. J., Lee J. L., Kim S. Y., J. Phys. Chem. C, 2012, 116(50), 26586

    Article  CAS  Google Scholar 

  55. Bae G., Cha J., Lee H., Park W., Park N., Carbon, 2012, 50(3), 851

    Article  CAS  Google Scholar 

  56. Perdew J. P., Chevary J. A., Vosko S. H., Jackson K. A., Pederson M. R., Singh D. J., Fiolhais C., Phys. Rev. B, 1992, 46(11), 6671

    Article  CAS  Google Scholar 

  57. Perdew J. P., Burke K., Wang Y., Phys. Rev. B, 1996, 54(23), 16533

    Article  CAS  Google Scholar 

  58. Becke A. D., Phys. Rev. A, 1988, 38(6), 3098

    Article  CAS  Google Scholar 

  59. Langreth D. C., Mehl M. J., Phys. Rev. B, 1983, 28(4), 1809

    Article  CAS  Google Scholar 

  60. Monkhorst H. J., Pack J. D., Phys. Rev. B, 1976, 13(12), 5188

    Article  Google Scholar 

  61. Chan K. T., Neaton J. B., Cohen M. L., Phys. Rev. B, 2008, 77(23), 235430

    Article  Google Scholar 

  62. Wang Y. S., Wang F., Li M., Xu B., Sun Q., Jia Y., Appl. Surf. Sci., 2012, 258(22), 8874

    Article  CAS  Google Scholar 

  63. Rytkönen K., Akola J., Manninen M., Phys. Rev. B, 2007, 75(7), 075401

    Article  Google Scholar 

  64. Michaelson H. B., J. Appl. Phys., 1977, 48, 4729

    Article  CAS  Google Scholar 

  65. Skriver H. L., Rosengaard N. M., Phys. Rev. B, 1992, 46(11), 7157

    Article  CAS  Google Scholar 

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Authors and Affiliations

  1. Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, School of Chemistry and Materials Science, Heilongjiang University, Harbin, 150080, P. R. China

    Tingting Yi, Bing Zheng, Haitao Yu & Ying Xie

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  1. Tingting Yi
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  2. Bing Zheng
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  3. Haitao Yu
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  4. Ying Xie
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Correspondence to Haitao Yu.

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Supported by the National Natural Science Foundation of China(Nos.21173072, 21601054).

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Yi, T., Zheng, B., Yu, H. et al. Structures, stabilities and work functions of alkali-metal-adsorbed boron α 1-sheets. Chem. Res. Chin. Univ. 33, 631–637 (2017). https://doi.org/10.1007/s40242-017-7038-5

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