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Topic Review
Water radical cations
The study of water continues to provide surprises as evidenced by recent work on the surfaces of small droplets. Systems comprising numbers of water molecules and corresponding cations represent a topic of special interest, such as nuclear safety, functional biomolecules (DNA, RNA, and proteins) damage, proton transfer process and so on. To date, water radical cations have been created through wet nitrogen ionized as a result of subjected to electron-impact ionization, photoionization of a water molecular beam or vapor, even including in helium nanodroplets. They have also been generated through intermolecular coulomb decay process by high-energy photos or above 70 eV electrons impactions.For (H2O)2+•, a theoretical simulation led to both the structure resulting from proton transfer and the dimer cation structure. For larger water radical cations, these clusters are easily constructed from the (H2O)nH+ structures by substituting one of the water molecules, which is the next neighbor of the charged site for •OH radical. Besides the ultra-fast proton transfer reaction within (H2O)n+• , and between (H2O)n+• and its neighboring water molecules to form the proton transfer product, (H2O)n+• also present ultrafast charge migration from a solute M to (H2O)n+•.
  • 2.1K
  • 27 Oct 2020
Topic Review
Water Photo-Oxidation over TiO2
Photocatalytic splitting of water is a direct and attractive approach for the utilization of solar energy by producing the most-prospective clean hydrogen fuel. In photocatalytic water splitting, oxidation of water to molecular oxygen, or oxygen evolution reaction (OER), is the most difficult process because it needs the transfer of four electrons, while the hydrogen evolution reaction (HER) is a two-electron transfer reaction.
  • 636
  • 16 Jan 2023
Topic Review
Vibrational Coherence in MMLCT and MC Excited State
There have been significant advancements in the investigation of coherence-related phenomena in organic systems such as biological photosynthetic reaction centers. The d8 Pt(II) dinuclear complex or molecular aggregate with a metal–metal-to-ligand charge transfer (MMLCT) or metal-centered (MC) excited state was reported to show the vibrational coherence phenomenon in the intersystem crossing (ISC) process, due to the Metal–metal (M-M) interaction at excited state.
  • 208
  • 24 Nov 2023
Topic Review
Ultrafast Phase Transitions in (001) Si
Researchers demonstrate an ultrafast (<0.1 ps) reversible phase transition in silicon (Si) under ultrafast pressure loading using molecular dynamics. Si changes its structure from cubic diamond to β-Sn on the shock-wave front. The phase transition occurs when the shock-wave pressure exceeds 11 GPa. 
  • 313
  • 04 Mar 2022
Topic Review
Types of Hydrogels for Bearing Anticancer Chemotherapeutics
The advantages of hydrogels as a depot for local application of medicinal substances are due to their tunable physicochemical properties, biocompatibility and the possibility for controllable degradation; due to that, they are intensively investigated as local drug delivery systems. A hydrogel can be defined as a quasi-solid body composed of a three-dimensional (3D) network of hydrophilic macromolecules and water. 
  • 233
  • 31 Jul 2023
Topic Review
Two-Dimensional Nanostructures as Surface-Enhanced Raman Scattering Substrates
Two-dimensional nanostructures (2DNS) attract tremendous interest and have emerged as potential materials for a variety of applications, including biomolecule sensing, due to their high surface-to-volume ratio, tuneable optical and electronic properties. Advancements in the engineering of 2DNS and associated technologies have opened up new opportunities. Surface-enhanced Raman scattering (SERS) is a rapid, highly sensitive, non-destructive analytical technique with exceptional signal amplification potential. Several structurally and chemically engineered 2DNS with added advantages (e.g., π–π* interaction), over plasmonic SERS substrates, have been developed specifically towards biomolecule sensing in a complex matrix, such as biological fluids. 
  • 441
  • 11 Jan 2023
Topic Review
Transition Metal Dichalcogenides in Photocatalytic Hydrogen Evolution
Transition metal dichalcogenides (TMDCs) is an emerging class of two-dimensional (2-D) materials that have exhibited great potential in photocatalytic applications owing to their intrinsic properties. They are normally used as cocatalysts together with other semiconductor materials and the junction created between them facilitates charge transfer of the photogenerated electrons and holes. The photocatalytic H2-evolution systems can be enhanced by lengthening the parts of uncovered surface of photocatalyst and delaying the recombination of electron-hole pairs.
  • 468
  • 05 May 2022
Topic Review
Transition Metal Anchored on Nitrogen-Doped Porous Carbon Catalysts
The design and preparation of novel, high-efficiency, and low-cost heterogeneous catalysts are important topics in academic and industry research. In the past, inorganic materials, metal oxide, and carbon materials were used as supports for the development of heterogeneous catalysts due to their excellent properties, such as high specific surface areas and tunable porous structures. However, the properties of traditional pristine carbon materials cannot keep up with the sustained growth and requirements of industry and scientific research, since the introduction of nitrogen atoms into carbon materials may significantly enhance a variety of their physicochemical characteristics, which gradually become appropriate support for synthesizing supported transition metal catalysts. The doping of nitrogen atoms improves the physicochemical properties of carbon materials with high specific surface area, abundant porous structure, nitrogen-containing groups, and defect sites, which are the ideal support for the preparation of transition metal heterogeneous catalysts.
  • 530
  • 27 Sep 2022
Topic Review
Tracing the Glycine from Quantum Chemical Simulations
Glycine (Gly), NH2CH2COOH, is the simplest amino acid. Although it has not been directly detected in the interstellar gas-phase medium, it has been identified in comets and meteorites, and its synthesis in these environments has been simulated in terrestrial laboratory experiments. Likewise, condensation of Gly to form peptides in scenarios resembling those present in a primordial Earth has been demonstrated experimentally. Thus, Gly is a paradigmatic system for biomolecular building blocks to investigate how they can be synthesized in astrophysical environments, transported and delivered by fragments of asteroids (meteorites, once they land on Earth) and comets (interplanetary dust particles that land on Earth) to the primitive Earth, and there react to form biopolymers as a step towards the emergence of life. 
  • 433
  • 24 Jun 2022
Topic Review
Tin-iodate rechargeable battery
The tin-iodate battery is a rechargeable battery for large scale energy storage.
  • 1.4K
  • 04 Jan 2022
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