?url_ver=Z39.88-2004&rft_id=10.5204%2Fthesis.eprints.116196&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rft.title=Computational+discovery+and+electronic+engineering+in+nanomaterials+for+photovoltaic+and+electronic+applications&rft.creator=Jiao%2C+Yalong&rft.subject=Density+functional+theory&rft.subject=Electronic+structure&rft.subject=Structure+prediction&rft.subject=Light+absorption&rft.subject=Perovskite&rft.subject=Photocatalytic+water+splitting&rft.subject=ODTA&rft.description=This+thesis+is+a+computational+study+for+the+discovery+of+nanomaterials+for+energy+and+electronic+applications.+It+successfully+predicted+a+series+of+structures+with+excellent+optical+and+novel+electronic+properties.+The+comprehensive+work+is+expected+to+guide+the+experimental+realization+of+next-generation+photoelectric+and+electronic+devices+in+the+near+future.&rft.publisher=Queensland+University+of+Technology&rft.date=2018&rft.type=Thesis&rft.format=application%2Fpdf&rft.relation=https%3A%2F%2Feprints.qut.edu.au%2F116196%2F1%2FYalong_Jiao_Thesis.pdf&rft.rights=free_to_read&rft.relation=doi%3A10.5204%2Fthesis.eprints.116196&rft.relation=Jiao%2C+Yalong+(2018)+Computational+discovery+and+electronic+engineering+in+nanomaterials+for+photovoltaic+and+electronic+applications.+PhD+by+Publication%2C+Queensland+University+of+Technology.&rft.id_number=https%3A%2F%2Feprints.qut.edu.au%2F116196%2F&rft.identifier=Science+%26+Engineering+Faculty%3B+School+of+Chemistry%2C+Physics+%26+Mechanical+Engineering