Transition Metal‐Based Perovskite Derivatives for Selective CO2 Photoreduction: Role of Orbital Occupancy DOI Open Access
Shivani Choudhary, Naveen Kumar Tailor,

Guguloth Venkanna

et al.

Small, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 25, 2025

Transition metals are renowned for their effective catalytic properties. Incorporating transition into halide perovskite derivatives is a key strategy tuning the properties of perovskites to enhance photocatalytic performance. Understanding d-orbital occupancy and spin activity these in CO2 photoreduction process essential fully realizing potential materials. In this study, layered synthesized using cobalt (Co) copper (Cu) as metal components. We observed that Cu Co exhibit complementary absorption attributed configuration. Additionally, (DMAP)2CuCl4 (DMAP = 4-Dimethylaminopyridine) exhibited highest performance with remarkable selectivity CH4 formation (≈97%). Pressure-dependent experiments showed higher pressures by improving saturation adsorption, accelerating reaction rate boosting product yield. The ferromagnetism, hysteresis, strong species detection carrier separation charge availability, conversion efficiency. Further, first-principles-based atomistic computations reveal more delocalized conduction band edge makes mobile electrons available reduction (DMAP)2CuX4. These findings guide design selective photocatalysts highlight sustainable energy solutions.

Language: Английский

Transition Metal‐Based Perovskite Derivatives for Selective CO2 Photoreduction: Role of Orbital Occupancy DOI Open Access
Shivani Choudhary, Naveen Kumar Tailor,

Guguloth Venkanna

et al.

Small, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 25, 2025

Transition metals are renowned for their effective catalytic properties. Incorporating transition into halide perovskite derivatives is a key strategy tuning the properties of perovskites to enhance photocatalytic performance. Understanding d-orbital occupancy and spin activity these in CO2 photoreduction process essential fully realizing potential materials. In this study, layered synthesized using cobalt (Co) copper (Cu) as metal components. We observed that Cu Co exhibit complementary absorption attributed configuration. Additionally, (DMAP)2CuCl4 (DMAP = 4-Dimethylaminopyridine) exhibited highest performance with remarkable selectivity CH4 formation (≈97%). Pressure-dependent experiments showed higher pressures by improving saturation adsorption, accelerating reaction rate boosting product yield. The ferromagnetism, hysteresis, strong species detection carrier separation charge availability, conversion efficiency. Further, first-principles-based atomistic computations reveal more delocalized conduction band edge makes mobile electrons available reduction (DMAP)2CuX4. These findings guide design selective photocatalysts highlight sustainable energy solutions.

Language: Английский

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