Possibilities and Limitations of Kinetic Studies in pls. insert line break here On-Surface Synthesis by pls. insert 2nd linebreak here Real Time X-ray Photoelectron Spectroscopy
© 2024 The Authors. ChemPhysChem published by Wiley-VCH GmbH..
The kinetics of coupling reactions on surfaces can be quantitatively studied in real time by X-ray Photoelectron Spectroscopy (XPS). From fitting experimental data, kinetic reaction parameters such as the rate constant's pre-exponential and activation energy can be deduced and compared to quantum chemical simulations. To elucidate the possibilities and limitations of this approach, we propose studies in which experimental data are first simulated and subsequently fitted. Knowing the exact kinetic parameters used in the simulation allows one to evaluate the accuracy of the fit result. Here, several experimental influences, such as the data point density and the addition of noise, are explored for a model reaction with first-order kinetics. The proposed procedure sheds light on the accuracy with which kinetic parameters can be derived and may also help in the design of future experiments.
| Medienart: |
E-Artikel |
|---|
| Erscheinungsjahr: |
2024 |
|---|---|
| Erschienen: |
2024 |
| Enthalten in: |
Zur Gesamtaufnahme - year:2024 |
|---|---|
| Enthalten in: |
Chemphyschem : a European journal of chemical physics and physical chemistry - (2024) vom: 25. März, Seite e202400156 |
| Sprache: |
Englisch |
|---|
| Beteiligte Personen: |
Lackinger, Markus [VerfasserIn] |
|---|
| Links: |
|---|
| Themen: |
Fast XPS |
|---|
| Anmerkungen: |
Date Revised 26.03.2024 published: Print-Electronic Citation Status Publisher |
|---|
| doi: |
10.1002/cphc.202400156 |
|---|
| funding: |
|
|---|---|
| Förderinstitution / Projekttitel: |
|
| PPN (Katalog-ID): |
NLM370178831 |
|---|
| LEADER | 01000naa a22002652 4500 | ||
|---|---|---|---|
| 001 | NLM370178831 | ||
| 003 | DE-627 | ||
| 005 | 20240327000632.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 240327s2024 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1002/cphc.202400156 |2 doi | |
| 028 | 5 | 2 | |a pubmed24n1349.xml |
| 035 | |a (DE-627)NLM370178831 | ||
| 035 | |a (NLM)38528329 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 100 | 1 | |a Lackinger, Markus |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Possibilities and Limitations of Kinetic Studies in pls. insert line break here On-Surface Synthesis by pls. insert 2nd linebreak here Real Time X-ray Photoelectron Spectroscopy |
| 264 | 1 | |c 2024 | |
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a ƒaComputermedien |b c |2 rdamedia | ||
| 338 | |a ƒa Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Date Revised 26.03.2024 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status Publisher | ||
| 520 | |a © 2024 The Authors. ChemPhysChem published by Wiley-VCH GmbH. | ||
| 520 | |a The kinetics of coupling reactions on surfaces can be quantitatively studied in real time by X-ray Photoelectron Spectroscopy (XPS). From fitting experimental data, kinetic reaction parameters such as the rate constant's pre-exponential and activation energy can be deduced and compared to quantum chemical simulations. To elucidate the possibilities and limitations of this approach, we propose studies in which experimental data are first simulated and subsequently fitted. Knowing the exact kinetic parameters used in the simulation allows one to evaluate the accuracy of the fit result. Here, several experimental influences, such as the data point density and the addition of noise, are explored for a model reaction with first-order kinetics. The proposed procedure sheds light on the accuracy with which kinetic parameters can be derived and may also help in the design of future experiments | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a Review | |
| 650 | 4 | |a X-ray photoelectron spectroscopy | |
| 650 | 4 | |a fast XPS | |
| 650 | 4 | |a kinetics | |
| 650 | 4 | |a on-surface synthesis | |
| 650 | 4 | |a temperature programmed XPS | |
| 773 | 0 | 8 | |i Enthalten in |t Chemphyschem : a European journal of chemical physics and physical chemistry |d 2000 |g (2024) vom: 25. März, Seite e202400156 |w (DE-627)NLM122233468 |x 1439-7641 |7 nnns |
| 773 | 1 | 8 | |g year:2024 |g day:25 |g month:03 |g pages:e202400156 |
| 856 | 4 | 0 | |u http://dx.doi.org/10.1002/cphc.202400156 |3 Volltext |
| 912 | |a GBV_USEFLAG_A | ||
| 912 | |a GBV_NLM | ||
| 951 | |a AR | ||
| 952 | |j 2024 |b 25 |c 03 |h e202400156 | ||