Adsorption of glycine on diamond (001): Role of bond angle of carbon atoms

被引：3

作者：

Li Lin ^{[1
]}

Xu Jing ^{[2
]}

Xu Li-Fang ^{[1
]}

Lian Chao-Sheng ^{[1
]}

Li Jun-Jie ^{[1
]}

Wang Jian-Tao ^{[1
]}

Gu Chang-Zhi ^{[1
,3
]}

机构：

[1] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China

[2] Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China

[3] Collaborat Innovat Ctr Quantum Matter, Beijing, Peoples R China

来源：

CHINESE PHYSICS B | 2015年 / 24卷 / 05期

基金：

中国国家自然科学基金;

关键词：

surface adsorption; glycine molecule; diamond (001) surface; first-principles calculations; CU(110); SURFACE;

D O I：

10.1088/1674-1056/24/5/056803

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The adsorption behaviors of glycine on diamond (001) are systematically investigated by first-principles calculations. We have considered all possible adsorption configurations without a surface dangling bond and give a quantitative analysis for the relationship between the deviation of carbon bond angle and adsorption energy. We found that a smaller distortion of carbon covalent bond angle results in a more stable adsorption structure, and the most stable adsorption has a benzene-ring-like structure with the highest adsorption energy of 5.11 eV per molecule and the minimum distortion of carbon covalent bond angle.

引用

页数：5

共 16 条

[1] A study of glycine adsorption on a Cu{110} surface using reflection absorption infrared spectroscopy [J].

Barlow, SM ;

Kitching, KJ ;

Haq, S ;

Richardson, NV .

SURFACE SCIENCE, 1998, 401 (03) :322-335

[2] Organic functionalization of group IV semiconductor surfaces: principles, examples, applications, and prospects [J].

Bent, SF .

SURFACE SCIENCE, 2002, 500 (1-3) :879-903

[3] What orchestrates the self-assembly of glycine molecules on cu(100)? [J].

Kanazawa, Ken ;

Taninaka, Atsushi ;

Takeuchi, Osamu ;

Shigekawa, Hidemi .

PHYSICAL REVIEW LETTERS, 2007, 99 (21)

[4] Anisotropic free-electron-like dispersions and standing waves realized in self-assembled monolayers of glycine on Cu(100) [J].

Kanazawa, Ken ;

Sainoo, Yasuyuki ;

Konishi, Yasuaki ;

Yoshida, Shoji ;

Taninaka, Atsushi ;

Okada, Arifumi ;

Berthe, Maxime ;

Kobayashi, Nobuhiko ;

Takeuchi, Osamu ;

Shigekawa, Hidemi .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2007, 129 (04) :740-741

[5] Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J].

Kresse, G ;

Furthmuller, J .

PHYSICAL REVIEW B, 1996, 54 (16) :11169-11186

[6] ABINITIO MOLECULAR-DYNAMICS FOR LIQUID-METALS [J].

KRESSE, G ;

HAFNER, J .

PHYSICAL REVIEW B, 1993, 47 (01) :558-561

[7] Amino acid adsorption on the Si(100) surface: The case of glycine [J].

Luo, Xuan ;

Qian, Gefei ;

Sagui, Celeste ;

Roland, Christopher .

JOURNAL OF PHYSICAL CHEMISTRY C, 2008, 112 (07) :2640-2648

[8] Diamond for bio-sensor applications [J].

Nebel, Christoph E. ;

Rezek, Bohuslav ;

Shin, Dongchan ;

Uetsuka, Hiroshi ;

Yang, Nianjun .

JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2007, 40 (20) :6443-6466

[9]

Perdew JP, 1996, PHYS REV LETT, V77, P3865, DOI 10.1103/PhysRevLett.77.3865

[10] Surface science of diamond: Familiar and amazing [J].

Ristein, Juergen .

SURFACE SCIENCE, 2006, 600 (18) :3677-3689

← 1 2 →