| 1. |
- Gatchell, Michael, et al.
(author)
-
Ion-induced molecular growth in clusters of small hydrocarbon chains
- 2017
-
In: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 19:30, s. 19665-19672
-
Journal article (peer-reviewed)abstract
- We report on studies of collisions between 3 keV Ar+ projectile ions and neutral targets of isolated 1,3-butadiene (C4H6) molecules and cold, loosely bound clusters of these molecules. We identify molecular growth processes within the molecular clusters that appears to be driven by knockout processes and that could result in the formation of (aromatic) ring structures. These types of reactions are not unique to specific projectile ions and target molecules, but will occur whenever atoms or ions with suitable masses and kinetic energies collide with aggregates of matter, such as carbonaceous grains in the interstellar medium or aerosol nanoparticles in the atmosphere.
|
|
| 2. |
|
|
| 3. |
- Giacomozzi, Linda, et al.
(author)
-
Decay pathways for protonated and deprotonated adenine molecules
- 2019
-
In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 151:4
-
Journal article (peer-reviewed)abstract
- We have measured fragment mass spectra and total destruction cross sections for protonated and deprotonated adenine following collisions with He at center-of-mass energies in the 20-240 eV range. Classical and ab initio molecular dynamics simulations are used to provide detailed information on the fragmentation pathways and suggest a range of alternative routes compared to those reported in earlier studies. These new pathways involve, for instance, losses of HNC molecules from protonated adenine and losses of NH2 or C3H2N2 from deprotonated adenine. The present results may be important to advance the understanding of how biomolecules may be formed and processed in various astrophysical environments.
|
|
| 4. |
- Giacomozzi, Linda, et al.
(author)
-
Knockout driven fragmentation of porphyrins
- 2017
-
In: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 19:30, s. 19750-19755
-
Journal article (peer-reviewed)abstract
- We have studied collisions between tetraphenylporphyrin cations and He or Ne at center-of-mass energies in the range 50-110 eV. The experimental results were interpreted in view of density functional theory calculations of dissociation energies and classical molecular dynamics simulations of how the molecules respond to the He/Ne impact. We demonstrate that prompt atom knockout strongly contributes to the total destruction cross sections. Such impulse driven processes typically yield highly reactive fragments and are expected to be important for collisions with any molecular system in this collision energy range, but have earlier been very difficult to isolate for biomolecules.
|
|
| 5. |
- Najafi, Leyla, et al.
(author)
-
Hybrid Organic/Inorganic Photocathodes Based on WS2 Flakes as Hole Transporting Layer Material
- 2021
-
In: Small Structures. - : John Wiley & Sons. - 2688-4062. ; 2:3
-
Journal article (peer-reviewed)abstract
- The efficient production of molecular hydrogen (H2) is a fundamental step toward an environmentally friendly economy. Photocathodes using organic bulk heterojunction (BHJ) films as light harvesters represent an attracting technology for low-cost photoelectrochemical water splitting. These photocathodes need charge transporting layers (CTLs) to efficiently separate and transport either holes or electrons toward the back-current collector and electrolyte, respectively. Therefore, it is pivotal to control the energy band edge levels and the work function (WF) of the CTLs to match the ones of the BHJ film, current collector, and electrolyte. Herein, the use of 2D p-doped WS2 flakes as hole transporting material for H2-evolving photocathodes based on the regioregular poly(3-hexylthiophene):phenyl-C61-butyric acid methyl ester (rr-P3HT:PCBM) BHJ film is proposed. The WS2 flakes are produced through scalable liquid-phase exfoliation of the bulk crystal, whereas p-type chemical doping allows the tuning of the WS2 WF. This approach boosts the performances of the photocathodes, reaching photocurrent densities up to 4.14 mA cm−2 at 0 V versus reversible hydrogen electrode (RHE), an onset potential of 0.66 V versus RHE, and a ratiometric power-saved metric of 1.28% (under 1 sun illumination). To the best of the authors' knowledge, these performances represent the current record for 2D materials-based CTLs.
|
|
