A perspective on two pathways of photocatalytic water splitting and their practical application systems

Ma, Yu; Lin, Lihua; Takata, Tsuyoshi; Hisatomi, Takashi; Domen, Kazunari

doi:10.1039/d2cp05427b

Cited by 23 publications

(13 citation statements)

References 128 publications

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“…However, S 1 and T 1 excitation energies of 1.152 and 1.201 eV, respectively, at the ADC(2)/aug-cc-pVDZ level are likely too low to be suitable for the four-electron reduction of water. This is especially so, after considering the slight overestimation of excitation energies by ADC (2).…”

Section: Excitation Energy Profiles Of 3 Amentioning

confidence: 89%

“…Photocatalytic water splitting, driven entirely by solar energy, is a promising approach for generating renewable chemical energy that does not involve consuming fossil fuels or emitting carbon dioxide. [1][2][3][4][5] For overall water splitting, the products are hydrogen, H 2 , and oxygen, O 2 , gases, equation 1. H 2 from entirely solar-driven photocatalytic water splitting can…”

Section: Introductionmentioning

confidence: 99%

“…Interestingly, the two-electron water splitting process produces H 2 as well as H 2 O 2 . Both H 2 and H 2 O 2 are value-added chemical intermediates, equation (2). Specifically, H 2 O 2 is used in manufacturing papers and textiles as well as for remediating wastewater.…”

Section: Introductionmentioning

confidence: 99%

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Novel Triangulenes: Computational Investigations of Energy Thresholds for Photocatalytic Water Splitting

Curtis,

King,

Odoh

2023

ChemPhysChem

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Organic materials with Inverted Singlet‐Triplet (INVEST) gaps are interesting for their potential use as photocatalytic small molecule transformations, like the entirely solar‐driven water splitting reaction. However, only few INVEST emitters are thermodynamically able to split water, with first singlet excited states, S1, above 1.27 or 1.76 eV; and absorbing near solar maximum, 2.57 eV. These requirements and the INVEST character are key for achieving long‐lived photocatalyst for water splitting. The only known INVEST emitters that conform to these criteria are large triangular boron carbon nitrides, with unknown synthesis pathways. With quantum‐mechanical calculations using ADC(2), we describe three triangulenes. 3a is a cyano azacyclopenta[cd]phenalene derivative while 3b and 3c are cycl[3.3.3]azine derivatives. 3b has a previously undescribed disulfide bridge. Overall 3a fulfills requirements for photocatalytic four‐electron reduction of water while the S1 states of 3b and 3c are likely slightly low for the two‐electron reduction process. By analyzing impacts of ligands, we find that there are guidelines describing how S1‐S5 energies and oscillator strengths, T1 energies and ΔES1T1 gaps are affected, requiring deep‐learning algorithms for which studies will be presented by us in due time. The impact of solvation effects as well as reduced‐cost ADC(2) algorithms on our findings are discussed.

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Section: Excitation Energy Profiles Of 3 Amentioning

confidence: 89%

Section: Introductionmentioning

confidence: 99%

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Novel Triangulenes: Computational Investigations of Energy Thresholds for Photocatalytic Water Splitting

Curtis,

King,

Odoh

2023

ChemPhysChem

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“…The onestep-excitation OWS reaction has been studied intensively for decades as a simple and readily scaled-up approach. [15][16][17][18] In this scheme, the bandgap of the semiconductor photocatalyst should straddle both the HER and OER potentials (Fig. 1a).…”

Section: Two Ows Systemsmentioning

confidence: 99%

Transition-metal (oxy)nitride photocatalysts for water splitting

Chen¹,

Xiao²,

Hisatomi³

et al. 2023

Chem. Sci.

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“…For example, Domen et al extensively discussed and summarized various aspects of particulate photocatalysts, such as one‐step and two‐step photocatalysts, visible‐light absorption, the role of cocatalysts, catalytic reactions on the surface, charge transport, materials design, and reaction systems for OWS. [ 24–29 ] Wang et al summarized and proposed standard testing protocols in particulate OWS. [ 30 ] Bie et al highlighted the issues and limitations of OWS such as unfavorable thermodynamics, backward reaction, dissolved oxygen and slow reaction kinetics.…”

Section: Introductionmentioning

confidence: 99%

Strategies to Enhance Interfacial Spatial Charge Separation for High‐Efficiency Photocatalytic Overall Water‐Splitting: A Review

Odabasi Lee,

Lakhera,

Yong

2023

Adv Energy and Sustain Res

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Developing efficient photocatalysts for overall water‐splitting (OWS) has garnered considerable attention due to their potential in renewable energy conversion and storage. Enhancing the efficiency of interfacial spatial charge separation poses a key challenge in this field, as it plays a momentous role in the photocatalytic process. In this review article, a range of strategies aimed at improving interfacial spatial charge separation in photocatalysts for realizing high‐efficiency OWS are explored. To provide a comprehensive understanding, first the fundamentals of photocatalytic water‐splitting are introduced and the main bottlenecks in the reaction process, along with various charge separation and transfer mechanisms are identified. Subsequently, recent advancements and efforts in designing spatial charge separation at the interfaces of 0D, 1D, 2D, and 3D nanostructured photocatalysts are discussed. Finally, a summary is presented and a long‐term outlook for spatial charge separation in the field of OWS is offered. By consolidating the current state‐of‐the‐art research, this review highlights the key challenges and favorable circumstances for future advancements in the pursuit of efficient OWS.

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A perspective on two pathways of photocatalytic water splitting and their practical application systems

Abstract: Photocatalytic water splitting has been widely studied as a means of converting solar energy into hydrogen as an ideal energy carrier in future. Systems for photocatalytic water splitting can be...

Cited by 23 publications

References 128 publications

Novel Triangulenes: Computational Investigations of Energy Thresholds for Photocatalytic Water Splitting

Novel Triangulenes: Computational Investigations of Energy Thresholds for Photocatalytic Water Splitting

Transition-metal (oxy)nitride photocatalysts for water splitting

Strategies to Enhance Interfacial Spatial Charge Separation for High‐Efficiency Photocatalytic Overall Water‐Splitting: A Review

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