Broad photoelectron spectrum and lowered electron affinity due to hydrogen in ZnOH: A joint experimental and theoretical study

I. Iordanov; K. D.D. Gunaratne; C. L. Harmon; J. O. Sofo; A. W. Castleman

doi:10.1063/1.4725713

Broad photoelectron spectrum and lowered electron affinity due to hydrogen in ZnOH: A joint experimental and theoretical study

I. Iordanov, K. D.D. Gunaratne, C. L. Harmon, J. O. Sofo, A. W. Castleman

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

We report a combined experimental and theoretical photoelectron spectroscopy study of ZnOH^-. We find that the electron binding energy spectrum of ZnOH^- reveals a broad and featureless peak between 1.4 and 2.4 eV in energy. The vertical detachment energy (VDE) of ZnOH^- is determined to be 1.78 eV, which is lower than the 2.08 eV VDE of ZnO ^-. Our theoretical calculations match the VDE of ZnOH^- accurately, but we find that the broadness of the peak cannot be explained by rotational or vibrational state excitation. The broadness of this peak is in strong contrast to the narrow and easily understood first peak of the ZnO spectrum, which features a well-resolved vibrational progression that can be readily explained by calculating the Franck-Condon transition factors. This study provides spectroscopic evidence of the effect of hydrogen on diatomic ZnO.

Original language	English (US)
Article number	214314
Journal	Journal of Chemical Physics
Volume	136
Issue number	21
DOIs	https://doi.org/10.1063/1.4725713
State	Published - Jun 7 2012

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

Access to Document

10.1063/1.4725713

Cite this

@article{74d6958922184fb4924cab1ef374a297,

title = "Broad photoelectron spectrum and lowered electron affinity due to hydrogen in ZnOH: A joint experimental and theoretical study",

abstract = "We report a combined experimental and theoretical photoelectron spectroscopy study of ZnOH-. We find that the electron binding energy spectrum of ZnOH- reveals a broad and featureless peak between 1.4 and 2.4 eV in energy. The vertical detachment energy (VDE) of ZnOH- is determined to be 1.78 eV, which is lower than the 2.08 eV VDE of ZnO -. Our theoretical calculations match the VDE of ZnOH- accurately, but we find that the broadness of the peak cannot be explained by rotational or vibrational state excitation. The broadness of this peak is in strong contrast to the narrow and easily understood first peak of the ZnO spectrum, which features a well-resolved vibrational progression that can be readily explained by calculating the Franck-Condon transition factors. This study provides spectroscopic evidence of the effect of hydrogen on diatomic ZnO.",

author = "I. Iordanov and Gunaratne, {K. D.D.} and Harmon, {C. L.} and Sofo, {J. O.} and Castleman, {A. W.}",

note = "Funding Information: We gratefully acknowledge funding from the US Department of the Army (MURI) Grant No. W911NF-06-1-0280.",

year = "2012",

month = jun,

day = "7",

doi = "10.1063/1.4725713",

language = "English (US)",

volume = "136",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "21",

}

TY - JOUR

T1 - Broad photoelectron spectrum and lowered electron affinity due to hydrogen in ZnOH

T2 - A joint experimental and theoretical study

AU - Iordanov, I.

AU - Gunaratne, K. D.D.

AU - Harmon, C. L.

AU - Sofo, J. O.

AU - Castleman, A. W.

N1 - Funding Information: We gratefully acknowledge funding from the US Department of the Army (MURI) Grant No. W911NF-06-1-0280.

PY - 2012/6/7

Y1 - 2012/6/7

N2 - We report a combined experimental and theoretical photoelectron spectroscopy study of ZnOH-. We find that the electron binding energy spectrum of ZnOH- reveals a broad and featureless peak between 1.4 and 2.4 eV in energy. The vertical detachment energy (VDE) of ZnOH- is determined to be 1.78 eV, which is lower than the 2.08 eV VDE of ZnO -. Our theoretical calculations match the VDE of ZnOH- accurately, but we find that the broadness of the peak cannot be explained by rotational or vibrational state excitation. The broadness of this peak is in strong contrast to the narrow and easily understood first peak of the ZnO spectrum, which features a well-resolved vibrational progression that can be readily explained by calculating the Franck-Condon transition factors. This study provides spectroscopic evidence of the effect of hydrogen on diatomic ZnO.

AB - We report a combined experimental and theoretical photoelectron spectroscopy study of ZnOH-. We find that the electron binding energy spectrum of ZnOH- reveals a broad and featureless peak between 1.4 and 2.4 eV in energy. The vertical detachment energy (VDE) of ZnOH- is determined to be 1.78 eV, which is lower than the 2.08 eV VDE of ZnO -. Our theoretical calculations match the VDE of ZnOH- accurately, but we find that the broadness of the peak cannot be explained by rotational or vibrational state excitation. The broadness of this peak is in strong contrast to the narrow and easily understood first peak of the ZnO spectrum, which features a well-resolved vibrational progression that can be readily explained by calculating the Franck-Condon transition factors. This study provides spectroscopic evidence of the effect of hydrogen on diatomic ZnO.

UR - http://www.scopus.com/inward/record.url?scp=84862586150&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84862586150&partnerID=8YFLogxK

U2 - 10.1063/1.4725713

DO - 10.1063/1.4725713

M3 - Article

C2 - 22697550

AN - SCOPUS:84862586150

SN - 0021-9606

VL - 136

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 21

M1 - 214314

ER -

Broad photoelectron spectrum and lowered electron affinity due to hydrogen in ZnOH: A joint experimental and theoretical study

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this