Tampere University of Technology

TUTCRIS Research Portal

Computational approaches to the chemical sensitivity of semiconducting tin dioxide

Research output: Contribution to journalArticleScientificpeer-review

Standard

Computational approaches to the chemical sensitivity of semiconducting tin dioxide. / Rantala, Tuomo; Lantto, Vilho; Rantala, Tapio.

In: Sensors and Actuators B: Chemical, Vol. 47, No. 1-3, 01.01.1998, p. 59-64.

Research output: Contribution to journalArticleScientificpeer-review

Harvard

Rantala, T, Lantto, V & Rantala, T 1998, 'Computational approaches to the chemical sensitivity of semiconducting tin dioxide' Sensors and Actuators B: Chemical, vol. 47, no. 1-3, pp. 59-64. https://doi.org/10.1016/S0925-4005(98)00007-0

APA

Vancouver

Author

Rantala, Tuomo ; Lantto, Vilho ; Rantala, Tapio. / Computational approaches to the chemical sensitivity of semiconducting tin dioxide. In: Sensors and Actuators B: Chemical. 1998 ; Vol. 47, No. 1-3. pp. 59-64.

Bibtex - Download

@article{238b5f1158694f2bb23896be7b0def78,
title = "Computational approaches to the chemical sensitivity of semiconducting tin dioxide",
abstract = "Some computational approaches to the chemical sensitivity of semiconducting tin dioxide are presented. Chemical sensitivity is often observed using conductance measurement. Therefore, the potential energy barriers in grain contacts between adjacent grains of a polycrystalline semiconductor are the key parameters for transducing the chemical surface sensitivity into the conductance response. The rate equation model describes the electronic exchange between the adsorbed oxygen species and the bulk conduction band of a semiconductor. It predicts the type of the major negative oxygen ion (O2- or O-) at the surface as a function of temperature in agreement with experimental findings. The grain geometry has only a small effect on the potential energy barrier at the surface of finite grains. Even a small neck contact between grains, in the case of mobile donors, decreases strongly the potential energy barrier between grains compared to that in the case of an open grain contact. Results from Monte Carlo simulations with random barrier networks reveal that the current-voltage characteristic of a polycrystalline semiconductor is non-linear at higher voltages and the non-linearity of the network increases with increasing width of the barrier distributions. Electronic-structure calculations with clusters give qualitative information on the role of oxygen vacancies in different atomic planes in SnO2 and its unrelaxed and unreconstructed (110) surface.",
keywords = "Electronic structure, Grain contact, Mobile donor, Surface energy barrier",
author = "Tuomo Rantala and Vilho Lantto and Tapio Rantala",
year = "1998",
month = "1",
day = "1",
doi = "10.1016/S0925-4005(98)00007-0",
language = "English",
volume = "47",
pages = "59--64",
journal = "Sensors and Actuators B: Chemical",
issn = "0925-4005",
publisher = "Elsevier Science",
number = "1-3",

}

RIS (suitable for import to EndNote) - Download

TY - JOUR

T1 - Computational approaches to the chemical sensitivity of semiconducting tin dioxide

AU - Rantala, Tuomo

AU - Lantto, Vilho

AU - Rantala, Tapio

PY - 1998/1/1

Y1 - 1998/1/1

N2 - Some computational approaches to the chemical sensitivity of semiconducting tin dioxide are presented. Chemical sensitivity is often observed using conductance measurement. Therefore, the potential energy barriers in grain contacts between adjacent grains of a polycrystalline semiconductor are the key parameters for transducing the chemical surface sensitivity into the conductance response. The rate equation model describes the electronic exchange between the adsorbed oxygen species and the bulk conduction band of a semiconductor. It predicts the type of the major negative oxygen ion (O2- or O-) at the surface as a function of temperature in agreement with experimental findings. The grain geometry has only a small effect on the potential energy barrier at the surface of finite grains. Even a small neck contact between grains, in the case of mobile donors, decreases strongly the potential energy barrier between grains compared to that in the case of an open grain contact. Results from Monte Carlo simulations with random barrier networks reveal that the current-voltage characteristic of a polycrystalline semiconductor is non-linear at higher voltages and the non-linearity of the network increases with increasing width of the barrier distributions. Electronic-structure calculations with clusters give qualitative information on the role of oxygen vacancies in different atomic planes in SnO2 and its unrelaxed and unreconstructed (110) surface.

AB - Some computational approaches to the chemical sensitivity of semiconducting tin dioxide are presented. Chemical sensitivity is often observed using conductance measurement. Therefore, the potential energy barriers in grain contacts between adjacent grains of a polycrystalline semiconductor are the key parameters for transducing the chemical surface sensitivity into the conductance response. The rate equation model describes the electronic exchange between the adsorbed oxygen species and the bulk conduction band of a semiconductor. It predicts the type of the major negative oxygen ion (O2- or O-) at the surface as a function of temperature in agreement with experimental findings. The grain geometry has only a small effect on the potential energy barrier at the surface of finite grains. Even a small neck contact between grains, in the case of mobile donors, decreases strongly the potential energy barrier between grains compared to that in the case of an open grain contact. Results from Monte Carlo simulations with random barrier networks reveal that the current-voltage characteristic of a polycrystalline semiconductor is non-linear at higher voltages and the non-linearity of the network increases with increasing width of the barrier distributions. Electronic-structure calculations with clusters give qualitative information on the role of oxygen vacancies in different atomic planes in SnO2 and its unrelaxed and unreconstructed (110) surface.

KW - Electronic structure

KW - Grain contact

KW - Mobile donor

KW - Surface energy barrier

U2 - 10.1016/S0925-4005(98)00007-0

DO - 10.1016/S0925-4005(98)00007-0

M3 - Article

VL - 47

SP - 59

EP - 64

JO - Sensors and Actuators B: Chemical

JF - Sensors and Actuators B: Chemical

SN - 0925-4005

IS - 1-3

ER -