Analisis Sifat Elektronik LaFeO3 co-doping Gd dan Co menggunakan Density Functional Theory dengan Generalized Gradient Approximation-Perdew--Burkew--Ernzerhof revised for solids untuk Aplikasi Sensor Gas Aseton

Hendi  Haryadi; Edi Suprayoga; Endi Suhendi

doi:10.17509/wafi.v7i2.51439

Authors

Hendi Haryadi Program Studi Fisika, Universitas Pendidikan Indonesia, Indonesia
Edi Suprayoga Badan Riset dan Inovasi Nasional, Indonesia
Endi Suhendi Program Studi Fisika, Universitas Pendidikan Indonesia, Indonesia

DOI:

https://doi.org/10.17509/wafi.v7i2.51439

Keywords:

LaFeO3, Co-Doping, density functional theory, sensor gas, aseton

Abstract

Telah dilakukan analisis sifat elektronik dari LaFeO3 couple doping (co doping) Gd dan Co untuk sensor gas aseton menggunakan Density Functional Theory dengan Generalized Gradient Approximation-Perdew—Burkew—Ernzerhof revised for solids (GGA-PBEsol). Perubahan sifat elektronik hasil mekanisme adsorpsi didiskusikan di sini. Hasil simulasi menunjukkan bahwa energi celah pita untuk LaFeO3 co-doping Gd dan Co sebelum dan saat terpapar molekul gas aseton secara berturut-turut adalah ± 0.501 eV dan ± 0.103 eV dengan energi adsorpsi 0.458 eV. Perubahan nilai celah energi ini menunjukkan bahwa telah terjadi mekanisme adsorpsi-oksidasi pada sistem yang didukung oleh adanya data energi adsorpsi. Mekanisme adsorpsi oksidasi merupakan mekanisme dasar untuk sensor gas dapat bekerja. Dengan adanya mekanisme ini, LaFeO3 co-doping Gd dan Co dapat dijadikan kandidat untuk aplikasi sensor gas, terutama untuk gas aseton.

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