Optimizing the n -type carrier concentration of an InVO4 photocatalyst by codoping with donors and intrinsic defects DOI

Aodi Zhang,

Hang Li, Hongbin Xu

и другие.

Physical Review Applied, Год журнала: 2024, Номер 22(4)

Опубликована: Окт. 18, 2024

Although indium vanadate (${\mathrm{InVO}}_{4}$) is an excellent n-type semiconductor, a controlled carrier concentration of the ${\mathrm{InVO}}_{4}$ photocatalyst required to enhance its photocatalytic activity. This study systematically explores self-consistent Fermi energies, dominant intrinsic defects, electron (${n}_{0}$), and defect using density-functional theory coupled with detailed thermodynamic equilibrium simulations. The results indicate that ${\mathrm{V}}_{\mathrm{In}}$ antisite (the vanadium atom replacing atom) in ${\mathrm{InVO}}_{4}$. calculated energy pinning position indicates has doping behavior from defects under $\mathrm{O}$-poor growth conditions, consistent experiments. Interestingly, donor (${D}^{+}$) positive for improving ${n}_{0}$ intrinsic-defect-doped Therefore, at 300 K, broad optimized chemical potential region (OCPR) obtained codoped donors defects. In this OCPR, higher, without recombination centers significant compensation, significantly enhancing activity However, case temperature 873 K after quenching OCPR much narrower than indicating higher temperatures may adversely affect OCPR. Our provide deep insights into behaviors suggest strategies conductivity properties, offering new opportunities manipulating performance

Язык: Английский

Synergy of Ni single atoms and NiO nanoclusters in carbon nitride to create local charge polarization for enhanced CO2 photoreduction DOI
Lei Li, Xinyan Dai,

Chao Cheng

и другие.

Chemical Engineering Journal, Год журнала: 2025, Номер unknown, С. 160101 - 160101

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

2
Ladder‐Like Built‐In Electric Field Enhances Self‐Assembly, Carrier Separation and Ultra‐Efficient Photocatalytic Oxygen Reduction DOI
Chen Li, Jiawei Song,

Peijie Ma

и другие.

Advanced Materials, Год журнала: 2025, Номер unknown

Опубликована: Апрель 24, 2025

Abstract Semiconductor heterojunctions can significantly enhance the separation of photogenerated charge carriers, among which Z‐type are more conducive to photocatalysis due their special transfer paths and strong oxidizing reducing properties. However, introducing efficient active sites has always been a significant challenge in improvement heterogeneous photocatalysts. Herein, through in‐depth analysis reaction mechanism structural characteristics, single atom catalysts ingeniously integrated using built‐in electric fields. For first time, suitable metal successfully designed under electronic structure at N‐terminal, utilizing low electronegativity non‐metallic element doping counteract local electron migration from heterojunctions. Ladder‐like field composed divergent parallel fields respectively, introduces new carrier path. AgPCN/BCN heterojunction reaches hydrogen peroxide (H 2 O ) yield 559.5 µM∙h −1 an apparent quantum efficiency 17.8% 2e − oxygen reduction reaction. Photoelectrochemical tests indicate importance 4e water oxidation as auxiliary This novel innovative photocatalyst brings approaches for photocatalysts improvement, insights into role photocatalytic mechanisms.

Язык: Английский

Процитировано

0
Facilitating Charge Separation of Donor–Acceptor Conjugated Microporous Polymers via Position Isomerism Strategy for Efficient CO2 Photoconversion DOI Open Access

Dandan Wang,

Xiaofei Yan,

Xinsheng Zhu

и другие.

Catalysts, Год журнала: 2024, Номер 14(10), С. 659 - 659

Опубликована: Сен. 24, 2024

Photoreduction of CO2 into the chemical feedstocks fuels provides a green way to help solve both energy crisis and carbon emission issues. Nevertheless, undesirable charge separation migration, as well rapid reverse recombination results in unsatisfactory photocatalytic activity most conjugated microporous polymers (CMPs). Herein, pair donor–acceptor (D-A) CMPs for photoconversion was developed through position isomerism by altering linkage sites. The show that Py-D27F with 2,7-site exhibits completely structure large molecular dipole moment, thus significantly accelerating transfer. As result, achieves higher yield 320.9 μmol g−1 h−1 CO2-to-CO photoreduction (without addition any photosensitizers precious metals), which is about three-fold greater than Py-D36F (3,6-site linkage). This study valuable idea exploring outstanding CMP photocatalysts efficient processing photocatalysis.

Язык: Английский

Процитировано

0
Optimizing the n -type carrier concentration of an InVO4 photocatalyst by codoping with donors and intrinsic defects DOI

Aodi Zhang,

Hang Li, Hongbin Xu

и другие.

Physical Review Applied, Год журнала: 2024, Номер 22(4)

Опубликована: Окт. 18, 2024

Although indium vanadate (${\mathrm{InVO}}_{4}$) is an excellent n-type semiconductor, a controlled carrier concentration of the ${\mathrm{InVO}}_{4}$ photocatalyst required to enhance its photocatalytic activity. This study systematically explores self-consistent Fermi energies, dominant intrinsic defects, electron (${n}_{0}$), and defect using density-functional theory coupled with detailed thermodynamic equilibrium simulations. The results indicate that ${\mathrm{V}}_{\mathrm{In}}$ antisite (the vanadium atom replacing atom) in ${\mathrm{InVO}}_{4}$. calculated energy pinning position indicates has doping behavior from defects under $\mathrm{O}$-poor growth conditions, consistent experiments. Interestingly, donor (${D}^{+}$) positive for improving ${n}_{0}$ intrinsic-defect-doped Therefore, at 300 K, broad optimized chemical potential region (OCPR) obtained codoped donors defects. In this OCPR, higher, without recombination centers significant compensation, significantly enhancing activity However, case temperature 873 K after quenching OCPR much narrower than indicating higher temperatures may adversely affect OCPR. Our provide deep insights into behaviors suggest strategies conductivity properties, offering new opportunities manipulating performance

Язык: Английский

Процитировано

0