A Strain-Engineered 0D/1D Heterojunction of InVO4/Cu-TbFeO3 for High- Selectivity CO2 Photoreduction
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arXiv
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| Format: | Preprint |
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2025
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| _version_ | 1866917071163490304 |
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| author | Rahman, Muneeb ur |
| author_facet | Rahman, Muneeb ur |
| contents | The catalytic CO2 photoreduction to CO is significantly hindered by the pervasive kinetic bottleneck of *CO-desorption and inefficient charge separation. Surpassing the conventional single photocatalytic strategy, herein, a multi-synergetic 0D/1D S-scheme heterojunction by precisely assembling 0D InVO4 nanoparticles on 1D Cu-doped TbFeO3 (IVO/CTFO). This nano-heterojunction is rationally designed at multiple steps where Cu2+ substitution at the Fe3+ site induces a compression in lattice strain and oxygen vacancies (VO), acting as electron traps and CO2 chemisorption sites, which breaks spin-polarization of pristine TbFeO3 to facilitate multichannel charge flow. The 0D/1D strategy couples the maximum surface active-sites and short charge diffusion routes with directional charge migration. Moreover, a 0D/1D lattice mismatch creates a built-in electric field at the interface, resulting in an enhanced lifetime (64.70 ns) of charged species, an efficient CO yield (65.75 mmole g-1.h-1), and high selectivity (95.93%). DFT calculations and experimental findings confirmed the Fermi level shift toward the conduction band and the existence of spin-hybridization. Operando-DRIFTS and the free-energy diagram unveil a H+ mediated mechanism at the interface, alongside a reduction in energy barrier for CO2 photoreduction from *COOH to *CO. Thus, this study presents an excellent approach that integrates defect-engineering, strain-compression, and interfacial design in advancing solar fuels production. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2511_07188 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | A Strain-Engineered 0D/1D Heterojunction of InVO4/Cu-TbFeO3 for High- Selectivity CO2 Photoreduction Rahman, Muneeb ur Materials Science Chemical Physics The catalytic CO2 photoreduction to CO is significantly hindered by the pervasive kinetic bottleneck of *CO-desorption and inefficient charge separation. Surpassing the conventional single photocatalytic strategy, herein, a multi-synergetic 0D/1D S-scheme heterojunction by precisely assembling 0D InVO4 nanoparticles on 1D Cu-doped TbFeO3 (IVO/CTFO). This nano-heterojunction is rationally designed at multiple steps where Cu2+ substitution at the Fe3+ site induces a compression in lattice strain and oxygen vacancies (VO), acting as electron traps and CO2 chemisorption sites, which breaks spin-polarization of pristine TbFeO3 to facilitate multichannel charge flow. The 0D/1D strategy couples the maximum surface active-sites and short charge diffusion routes with directional charge migration. Moreover, a 0D/1D lattice mismatch creates a built-in electric field at the interface, resulting in an enhanced lifetime (64.70 ns) of charged species, an efficient CO yield (65.75 mmole g-1.h-1), and high selectivity (95.93%). DFT calculations and experimental findings confirmed the Fermi level shift toward the conduction band and the existence of spin-hybridization. Operando-DRIFTS and the free-energy diagram unveil a H+ mediated mechanism at the interface, alongside a reduction in energy barrier for CO2 photoreduction from *COOH to *CO. Thus, this study presents an excellent approach that integrates defect-engineering, strain-compression, and interfacial design in advancing solar fuels production. |
| title | A Strain-Engineered 0D/1D Heterojunction of InVO4/Cu-TbFeO3 for High- Selectivity CO2 Photoreduction |
| topic | Materials Science Chemical Physics |
| url | https://arxiv.org/abs/2511.07188 |