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We present a conspectus of recent joint spectroscopic and computational studies which provided novel insight into the photochemistry of hydrogen-bonded complexes of the heptazine (Hz) chromophore with hydroxylic substrate molecules (water…

Chemical Physics · Physics 2020-07-01 Wolfgang Domcke , Andrzej L. Sobolewski , Cody W. Schlenker

Graphitic carbon nitride ($g$-CN) has attracted vast interest as a promising inexpensive metal-free photocatalyst for water splitting with solar photons. The heptazine (Hz) molecule is the building block of graphitic carbon nitride. The…

Chemical Physics · Physics 2024-12-03 Sebastian V. Pios , Maxim F. Gelin , Wolfgang Domcke , Lipeng Chen

The photocatalytic splitting of water into molecular hydrogen and molecular oxygen with sunlight is the dream reaction for solar energy conversion. Since decades, transition-metal-oxide semiconductors and supramolecular organometallic…

Chemical Physics · Physics 2018-07-10 Wolfgang Domcke , Johannes Ehrmaier , Andrzej L. Sobolewski

Water is a life-giving source, fundamental to human existence, yet, over a billion people lack access to clean drinking water. Present techniques for water treatment such as piped, treated water rely on time and resource intensive…

Chemical Physics · Physics 2016-07-26 Venkatasubramanian Viswanathan , Heine A. Hansen , Jens K. Nørskov

In this review, we discuss disruptive decoupled water splitting schemes, in which the concurrent production of hydrogen and oxygen in close proximity to each other in conventional electrolysis is replaced by time- or space-separated…

Applied Physics · Physics 2020-07-28 Avigail Landman , Gideon S. Grader , Avner Rothschild

The current state of the art in direct water splitting in photo-electrochemical cells (PECs) is presented together with: (i) a case study of water splitting using a simple solar cell with the most efficient water splitting electrodes and…

We adapt the computational hydrogen electrode approach to explicitly account for photo-generated charges and use it to computationally screen for viable catalyst/co-catalyst combinations for photo-catalytic water splitting. The hole energy…

Materials Science · Physics 2013-07-31 Harald Oberhofer , Karsten Reuter

Pump-push-probe spectroscopy was employed for the exploration of charge-separation processes in organic photovoltaic blends as well as for proton-coupled electron-transfer (PCET) reactions in hydrogen-bonded complexes of…

Chemical Physics · Physics 2025-05-07 Sebastian V. Pios , Maxim F. Gelin , Wolfgang Domcke , Lipeng Chen

Organic crystalline materials are potential candidates for photocatalytic overall water splitting (OWS). Although organic crystals have been heavily investigated for application in organic electronics, such as organic light-emitting diodes…

Materials Science · Physics 2026-02-23 James D. Green , Daniel G. Medranda , Hong Wang , Andrew I. Cooper , Jenny Nelson , Kim E. Jelfs

Solar water splitting provides a promising path for sustainable hydrogen production and solar energy storage. One of the greatest challenges towards large-scale utilization of this technology is reducing the hydrogen production cost. The…

The photophysics and photochemistry associated with irradiating UV light in liquid water is central to numerous physical, chemical and biological processes. One of the key events involved in this process is the generation of the hydrated…

Photocatalytic water splitting has greatly stimulated as an ideal technique for producing hydrogen (H$_{2}$) fuel by employing two renewable sources, i.e., water and solar energy. Here, we have adopted a facile hydrothermal approach for the…

Chemical Physics · Physics 2022-01-04 Fahmida Sharmin , Dayal Chandra Roy , M. A. Basith

When irradiated with violet light, hexaazatrinaphthylene (HATN) extracts a hydrogen atom from an alcohol forming a long-living hydrogenated species. The apparent kinetic isotope effect for fluorescence decay time in deuterated methanol…

Chemical Physics · Physics 2022-05-30 Olaf Morawski , Paweł Gawryś , Jarosław Sadło , Andrzej L. Sobolewski

Understanding the dynamic nature of the semiconductor-water interface is crucial for developing efficient photoelectrochemical water splitting catalysts, as it governs reactivity through charge and mass transport. In this study, we employ…

Chemical Physics · Physics 2024-05-03 Sagarmoy Mandal , Tushar Kanti Ghosh

Due to the energy supply pressure caused by non-renewable fuels as well as the environment-related issues, the efficient conversion of solar-chemical energy via photo-induced water splitting is one of the promising strategies to address the…

Chemical Physics · Physics 2021-03-23 Zhexu Xi

Photoelectrochemical (PEC) water splitting offers an elegant approach for solar energy conversion into hydrogen fuel. Large-scale hydrogen production requires stable and efficient photoelectrodes and scalable PEC cells that are fitted for…

Photocatalytic water splitting represents a very promising but at the same time very challenging contribution to a clean and renewable route to produce hydrogen fuel. Developing efficient and cost-effective photocatalysts for water…

Materials Science · Physics 2023-01-12 Manjari Jain , Deepika Gill , Sanchi Monga , Saswata Bhattacharya

Photocatalytic water splitting reaction on TiO2 surface is one of the fundamental issues that bears significant implication in hydrogen energy technology and has been extensively studied. However, the existence of the very first reaction…

Chemical Physics · Physics 2011-11-15 Shijing Tan , Yongfei Ji , Yang Wang , Jin Zhao , Aidi Zhao , Bing Wang , Yi Luo , Jinlong Yang , J. G. Hou

We use transient absorption spectroscopy to monitor the ionization and dissociation products following two-photon excitation of pure liquid water. The two decay mechanisms occur with similar yield for an excitation energy of 9.3 eV, whereas…

Chemical Physics · Physics 2009-11-13 Christopher G. Elles , Ilya A. Shkrob , Robert A. Crowell , Stephen E. Bradforth

The low conversion rate and efficiency always weaken the performance of thermochemical water-splitting reaction. Herein, we, for the first time, conducted the thermodynamic study of a hydrogen permeable membrane (HPM) in an isothermal…

Materials Science · Physics 2018-08-08 Chenxi Sui , Hongsheng Wang , Xiang Liu , Xuejiao Hu
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