Implications of finite-size and surface effects on nanosize intercalation materials

被引：15

作者：

Obrovac, MN

Dahn, JR ^{[1
]}

机构：

[1] Dalhousie Univ, Dept Phys, Halifax, NS B3H 3J5, Canada

[2] Dalhousie Univ, Dept Chem, Halifax, NS B3H 3J5, Canada

来源：

PHYSICAL REVIEW B | 2000年 / 61卷 / 10期

关键词：

D O I：

10.1103/PhysRevB.61.6713

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A Monte Carlo simulation of a two-dimensional lattice gas with free boundaries is used to study the effects of surface and size on the chemical potential-composition curves of intercalation compounds. In particular we are interested in electrochemically active nanosize lithium intercalation compounds. Both surface and size effects were found to modify the chemical potential versus composition behavior of our model. By the manipulation of grain size and surface energy it may be possible to fine tune a material's chemical potential versus composition behavior.

引用

页码：6713 / 6719

页数：7

共 19 条

[1] ADSORPTION ON STEPPED SURFACES - A MONTE-CARLO SIMULATION [J].

ALBANO, EV ;

BINDER, K ;

HEERMANN, DW ;

PAUL, W .

SURFACE SCIENCE, 1989, 223 (1-2) :151-178

[2] STATISTICAL MECHANICS OF FINITE 3-DIMENSIONAL ISING MODELS [J].

BINDER, K .

PHYSICA, 1972, 62 (04) :508-526

[3] Physical and electrochemical characterization of nanocrystalline LiMn2O4 prepared by a modified citrate route [J].

Choy, JH ;

Kim, DH ;

Kwon, CW ;

Hwang, SJ ;

Kim, YI .

JOURNAL OF POWER SOURCES, 1999, 77 (01) :1-11

[4]

Diehl H. W., 1986, Phase Transitions and Critical Phenomena, V10, P76

[5]

FERDINAND AE, 1969, PHYS REV, V185, P185

[6]

Fisher M.E., 1971, CRIT PHEN P INT SCH

[7] SCALING FOR 1ST-ORDER PHASE-TRANSITIONS IN THERMODYNAMIC AND FINITE SYSTEMS [J].

FISHER, ME ;

BERKER, AN .

PHYSICAL REVIEW B, 1982, 26 (05) :2507-2513

[8] INTERFACIAL BOUNDARY AND SIZE EFFECTS AT CRITICAL POINTS [J].

FISHER, ME ;

FERDINAND, AE .

PHYSICAL REVIEW LETTERS, 1967, 19 (04) :169-+

[9] FINITE-SIZE BEHAVIOR OF ISING SQUARE LATTICE [J].

LANDAU, DP .

PHYSICAL REVIEW B, 1976, 13 (07) :2997-3011

[10] FINITE-SIZE BEHAVIOR OF SIMPLE-CUBIC ISING LATTICE [J].

LANDAU, DP .

PHYSICAL REVIEW B, 1976, 14 (01) :255-262

← 1 2 →