Factors affecting the production of H2 by water splitting over a novel visible-light-driven photocatalyst GaFeO3

Dhanasekaran, P.; Gupta, Nandini

doi:10.1016/j.ijhydene.2011.12.068

Cited by 75 publications

(44 citation statements)

References 27 publications

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“…Dhanasekaran and Gupta [19], however, report increased water splitting properties incorporating N impurities to GFO. Despite the acceptor state located in the spin up channel the spin down channel shows no impurity states and is reduced as well compared to stoichiometric GFO.…”

Section: Discussionmentioning

confidence: 98%

“…There is an experimental study performed by Dhanasekaran and Gupta [19] investigating the effect of N and S doping on the photocatalytic properties of GFO substituting O. Transition metal oxides and their occurrence as multiferroics have proven to be good photocatalysts [18].…”

Section: Introductionmentioning

confidence: 99%

“…Transition metal oxides and their occurrence as multiferroics have proven to be good photocatalysts [18]. Dhanasekaran and Gupta [19] report a significant increase of the photocatalytic property producing H 2 by water splitting substituting O sites with N and S atoms, respectively. Water splitting using solar-radiation is a most promising way for producing sustainable fuel.…”

Section: Introductionmentioning

confidence: 99%

“…Beside trying to explain the enhanced photocatalytic property reported by Dhanasekaran and Gupta [19] we use ab initio calculations as a predictive tool revealing properties that are useful for new applications and may help to interpret future experimental results.…”

Section: Introductionmentioning

confidence: 99%

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The electronic and magnetic properties of anion doped (C, N, S) GaFeO3; an ab initio DFT study

Atanelov

Mohn

2016

Computational Materials Science

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a b s t r a c tIn this study we present ab initio DFT calculations performed on stoichiometric and anion doped GaFeO 3 substituting O by a C, N and S atom, respectively. Stoichiometric GaFeO 3 has an antiferromagnetic (AFM) ground state. The Fe atoms of the sublattices Fe1 and Fe2 couple antiferromagnetically via the O atoms through the superexchange mechanism. Replacing the superexchange mediating O atom with p-elements of a different valence electron configuration changes the underlying magnetic exchange mechanism and influence the ground state properties. This may be used for tuning properties interesting for technical applications. Four different doping configurations were examined revealing a cell site dependent influence on the magnetic properties. Carbon, for example, changes the AFM coupling present in the Fe1-O-Fe2 configuration into a ferrimagnetic exchange for the Fe1-C-Fe2 bond. Depending on the respective cell site C substitution introduces a ferrimagnetic or AFM ground state. Nitrogen alters the ground state magnetic moment as well and sulfur introduces large structural distortions affecting the band gap and the overall AFM coupling inside the doped GaFeO 3 simulation cell. We give a detailed discussion on the respective magnetic exchange mechanisms and electronic properties with regard to applications as photocatalysis and use the predictive power of ab initio DFT simulations that may trigger future experiments in the very promising field of tunable multifunctional devices.

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Section: Discussionmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

The electronic and magnetic properties of anion doped (C, N, S) GaFeO3; an ab initio DFT study

Atanelov

Mohn

2016

Computational Materials Science

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“…To date, a considerable number of photocatalysts have been developed to construct water splitting systems including one-step [2][3][4][5][6][7][8][9][10][11] and two-step 12-17 photoexcitation systems. However, in both systems, the water oxidation process is currently considered to be a key bottleneck in water splitting.…”

Section: Introductionmentioning

confidence: 99%

Improvement of the Photocatalytic Water Splitting Activity of Silver Tantalate by Photodeposited Platinum and Cobalt-Oxide Nanoclusters

2016

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In this paper, we studied platinum (Pt)-and cobalt oxide (CoO x )-loaded silver tantalate (AgTaO 3 ) for photocatalytic overall water splitting. Pt and CoO x were loaded on AgTaO 3 by photodeposition, and the obtained photocatalysts were characterized by using powder X-ray diffraction (XRD), UV-visible (UV-vis) absorption spectroscopy, X-ray photoelectron spectroscopy (XPS), inductively coupled plasma atomic emission spectroscopy (ICP-AES), and microscope inspection. By the scanning transmission electron microscope (STEM) inspection, the diameters of Pt and CoO x particles were found to be approximately 30 and 50 nm, respectively. When AgTaO 3 photocatalyst loaded with Pt and CoO x nanoparticles was employed for water splitting, the activity was demonstrated to be 80 times higher compared with the bare AgTaO 3 , indicating that the photodeposited Pt and CoO x effectively functioned as the hydrogen (H 2 ) and oxygen (O 2 ) evolution cocatalysts, respectively. While the use of photodeposited CoO x is often limited in photoelectrochemical water oxidation and photocatalytic half-reaction of water, CoO x deposited on AgTaO 3 could be demonstrated to enhance the photocatalytic overall water splitting activity.

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Contemporary Achievements of Visible Light‐Driven Nanocatalysts for the Environmental Applications

Sathishkumar

Pugazhenthiran

Mangalaraja

et al. 2019

Photocatalytic Functional Materials for Environmental Remediation

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Factors affecting the production of H2 by water splitting over a novel visible-light-driven photocatalyst GaFeO3

Cited by 75 publications

References 27 publications

The electronic and magnetic properties of anion doped (C, N, S) GaFeO3; an ab initio DFT study

The electronic and magnetic properties of anion doped (C, N, S) GaFeO3; an ab initio DFT study

Improvement of the Photocatalytic Water Splitting Activity of Silver Tantalate by Photodeposited Platinum and Cobalt-Oxide Nanoclusters

Contemporary Achievements of Visible Light‐Driven Nanocatalysts for the Environmental Applications

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