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The study of nitroxide radical redox-couple and anatase surface interaction: a guide to choose the best sensitizer
Kusumawati Y.a, Puteri Z.R.a, Ivansyah A.L.b, Fansuri H.a, Martoprawiro M.A.b
a Chemistry Department, Faculty of Science, Institut Teknologi Sepuluh Nopember (ITS), Surabaya, 60111, Indonesia
b Chemistry Department, Institut Teknologi Bandung (ITB), Bandung, 40132, Indonesia
[vc_row][vc_column][vc_row_inner][vc_column_inner][vc_separator css=”.vc_custom_1624529070653{padding-top: 30px !important;padding-bottom: 30px !important;}”][/vc_column_inner][/vc_row_inner][vc_row_inner layout=”boxed”][vc_column_inner width=”3/4″ css=”.vc_custom_1624695412187{border-right-width: 1px !important;border-right-color: #dddddd !important;border-right-style: solid !important;border-radius: 1px !important;}”][vc_empty_space][megatron_heading title=”Abstract” size=”size-sm” text_align=”text-left”][vc_column_text]© 2019, Springer-Verlag GmbH Germany, part of Springer Nature. Nitroxide radical redox-couple compounds have the potentials to be applied as a redox couple in dye-sensitized solar cell applications since their standard reduction potential reached almost 1 V. Unfortunately, many reports revealed the limitations of nitroxide in dye-sensitized solar cell applications. This study investigates the interaction between several nitroxide radical redox couples with anatase surface. The Ti 14 O 31 H 6 cluster was built as a model of anatase surface. The calculation results show that the limitation of the nitroxide radical redox-couple compounds was laid on the high charge transfer on the TiO 2 surface. The high charge transfer indicates that the charge recombination from the redox-couple species to the semiconductor is preferable and is not beneficial for cell efficiency. The calculation also figures that almost the observed nitroxide radical compounds shifted the TiO 2 conduction band positively to the − 2.5 eV. This finding proved to us that it is important to choose the sensitizer which has a LUMO above − 2.5 eV to avoid the fail of charge injection.[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Author keywords” size=”size-sm” text_align=”text-left”][vc_column_text][/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Indexed keywords” size=”size-sm” text_align=”text-left”][vc_column_text]Charge transfer,Computational,DSSC,Nitroxide radical,TEMPO[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Funding details” size=”size-sm” text_align=”text-left”][vc_column_text]Acknowledgements The Ministry of Research, Technology and Higher Education of the Republic of Indonesia is acknowledged for the financial support with the contract Number 947/PKS/ITS/2018 through the PDUPT research scheme.[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”DOI” size=”size-sm” text_align=”text-left”][vc_column_text]https://doi.org/10.1007/s00214-019-2452-z[/vc_column_text][/vc_column_inner][vc_column_inner width=”1/4″][vc_column_text]Widget Plumx[/vc_column_text][/vc_column_inner][/vc_row_inner][/vc_column][/vc_row][vc_row][vc_column][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][/vc_column][/vc_row]