Promoted Electrochemical Performance of β-MnO2 through Surface Engineering

被引:20
作者
Chen, Chi [1 ]
Xu, Kui [1 ]
Ji, Xiao [1 ]
Miao, Ling [1 ]
Jiang, Jianjun [1 ]
机构
[1] Huazhong Univ Sci & Technol, Sch Opt & Elect Informat, Wuhan 430074, Hubei, Peoples R China
基金
中国国家自然科学基金;
关键词
adsorption; diffusion; beta-MnO2; F-termination; surface energy; DFT; ANATASE TIO2 NANOSHEETS; 001; FACETS; TAILORED FACETS; ENERGY-STORAGE; LITHIUM; MNO2; SUPERCAPACITORS; ELECTRODE; PERCENTAGE; CAPACITORS;
D O I
10.1021/acsami.6b14601
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
Different crystal facets with different surface atomic configurations and physical/chemical properties, will have distinct electrochemical performances during their surface/near-surface redox reactions, and it's important to realize controllable synthesis of high active surfaces for electrode materials. Herein, using first-principle calculations, the electrochemical performances of different surfaces for beta-MnO2 were investigated. Higher surface adsorption pseudocapacitance and lower ion diffusion barrier from surface to near-surface, make {001} surface of beta-MnO2 superior to other surfaces when acting as electrode material. Moreover, beta-MnO2 with large percentage of {001} surface was predicted to be obtained through surface F terminating. F-termination will decrease the surface energy of {001} surface while suppressing the growth of {110} surface, which is demonstrated as the surface with much lower electrochemical performances. This work might provide a feasible strategy to synthesize anticipated surfaces with high electrochemical performance for transition metal oxides.
引用
收藏
页码:15176 / 15181
页数:6
相关论文
共 42 条
[1]  
[Anonymous], 1999, ELECTROCHEMICAL SUPE
[2]   RUTILE-TYPE COMPOUNDS .5. REFINEMENT OF MNO2 AND MGF2 [J].
BAUR, WH .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1976, 32 (JUL15) :2200-2204
[3]   Polycrystalline TiO2 Anatase with a Large Proportion of Crystal Facets (001): Lithium Insertion Electrochemistry [J].
Bousa, Milan ;
Laskova, Barbora ;
Zukalova, Marketa ;
Prochazka, Jan ;
Chou, Alison ;
Kavan, Ladislav .
JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2010, 157 (10) :A1108-A1112
[4]   Crystalline MnO2 as possible alternatives to amorphous compounds in electrochemical supercapacitors [J].
Brousse, Thierry ;
Toupin, Mathieu ;
Dugas, Romain ;
Athouel, Laurence ;
Crosnier, Olivier ;
Belanger, Daniel .
JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2006, 153 (12) :A2171-A2180
[5]   HF-Free Synthesis of Anatase TiO2 Nanosheets with Largely Exposed and Clean {001} facets and Their Enhanced Rate Performance As Anodes of Lithium-Ion Battery [J].
Cheng, Xun-Liang ;
Hu, Ming ;
Huang, Rong ;
Jiang, Ji-Sen .
ACS APPLIED MATERIALS & INTERFACES, 2014, 6 (21) :19176-19183
[6]   TRANSITION FROM SUPERCAPACITOR TO BATTERY BEHAVIOR IN ELECTROCHEMICAL ENERGY-STORAGE [J].
CONWAY, BE .
JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 1991, 138 (06) :1539-1548
[7]   Effect of crystallographic structure of MnO2 on its electrochemical capacitance properties [J].
Devaraj, S. ;
Munichandraiah, N. .
JOURNAL OF PHYSICAL CHEMISTRY C, 2008, 112 (11) :4406-4417
[8]   Synthesis of Titania Nanosheets with a High Percentage of Exposed (001) Facets and Related Photocatalytic Properties [J].
Han, Xiguang ;
Kuang, Qin ;
Jin, Mingshang ;
Xie, Zhaoxiong ;
Zheng, Lansun .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009, 131 (09) :3152-+
[9]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[10]  
Huber KP, 1979, MOL SPECTRA MOL STRU, DOI DOI 10.1007/978-1-4757-0961-2