Modelling Simulation of Organic and Inorganic Interaction Based on First Principle Calculation
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Date
2018Author
Tijjani, Adam
Aeshah M., Mohammed
Mohammed, Mohammed
Omar S., Dahham
Uda, Hashim
Nik Noriman, Zulkepli
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The student presented theoretically interaction of organic and inorganic based on the electrostatic interaction created by the ssDNA interaction with sensor active surface, the ssDNA strand was immobilised on silicon-based sensor to create binding chemistry with subsequent target molecule. The sensor is influenced by the ability of the attached probe ssDNA to recognise it complements through matched and mismatched. Upon interaction, the electrical response of the sensor was calculated based on density functional. A growth exponential functional model was established with 5nA rate of growth indicating
complementary reactive and the model equally generated revised degenerative mode with mismatched produce decaying exponential model, thus, with excellent prediction capability. The organic and in-organic material interactive model developed could be employed to test the experimental model to validate and predict the selectivity and sensitive
of Nano based biosensors.