?url_ver=Z39.88-2004&rft_id=10.5204%2Fthesis.eprints.198196&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rft.title=Ab+initio+atomistic+insights+into+lead-free+perovskites+for+photovoltaics+and+optoelectronics&rft.creator=Roknuzzaman%2C+Md&rft.subject=Perovskites&rft.subject=Photovoltaics&rft.subject=Hybrid+Perovskites&rft.subject=Double+Perovskites&rft.subject=Lead-free+Perovskites&rft.subject=Organic+Semiconductors&rft.subject=Electronic+Properties&rft.subject=Optical+Properties&rft.subject=Transport+Properties&rft.subject=Optoelectronics&rft.description=This+project+focuses+on+the+development+of+advanced+non-toxic+materials+for+the+applications+in+energy+generation+and+consumption+devices+like+solar+cells%2C+light-emitting+diodes%2C+lasers+and+photodetectors.+A+first-principles+density+functional+theory+calculations+are+conducted+to+investigate+the+properties+of+a+number+of+inorganic%2C+hybrid+and+double+perovskites+compounds+to+predict+their+potential+for+applications+in+photovoltaics+and+optoelectronics.+The+achieved+outcomes+provide+a+better+understanding+of+the+structural%2C+electronic%2C+optical+and+mechanical+properties+of+a+group+of+potential+compounds+and+provide+new+scientific+knowledge+to+develop+non-toxic+high-quality+organic-inorganic+materials+for+photovoltaic+and+optoelectronic+applications.&rft.publisher=Queensland+University+of+Technology&rft.date=2020&rft.type=Thesis&rft.format=application%2Fpdf&rft.relation=https%3A%2F%2Feprints.qut.edu.au%2F198196%2F1%2FMd_Roknuzzaman_Thesis.pdf&rft.rights=free_to_read&rft.rights=http%3A%2F%2Fcreativecommons.org%2Flicenses%2Fby-nc-nd%2F4.0%2F&rft.relation=doi%3A10.5204%2Fthesis.eprints.198196&rft.relation=Roknuzzaman%2C+Md+(2020)+Ab+initio+atomistic+insights+into+lead-free+perovskites+for+photovoltaics+and+optoelectronics.+PhD+by+Publication%2C+Queensland+University+of+Technology.&rft.id_number=https%3A%2F%2Feprints.qut.edu.au%2F198196%2F&rft.identifier=Science+%26+Engineering+Faculty%3B+School+of+Chemistry%2C+Physics+%26+Mechanical+Engineering