Structural Properties of Palladium-Manganese Alloys

Alexander J Jaworowski

Structural Properties of Palladium-Manganese Alloys

Alexander J Jaworowski

MAX IV Laboratory

Research output: Thesis › Doctoral Thesis (compilation)

Abstract

Structural properties of adsorbed overlayers on well-defined single crystals and of Palladium-Manganese surface alloys formed on Pd(100) have been investigated using synchrotron-based photoemission, scanning tunneling microscopy and Fourier-transform infrared spectroscopy. The experimental valence electronic structure of PdMn systems on Pd(100) is compared to density functional calculations (DFT). It is shown that room temperature growth and alloying of Mn on Pd(100) undergoes a two-dimensional to three-dimensional transition. Pd 3d photoemission results show that the 2D c(2x2) alloy contains subsurface Mn and the alloy was found to be terminated by a PdMn mixed layer. Total energy calculations demonstrate that a Pd-terminated Cu3Au structure is energetically more favorable, but the system is not able to reach this state at the used temperature due to kinetic effects. It could be concluded that a flat Mn monolayer formed at 90 K is anti-ferromagnetic in line with earlier predictions. When concerning the annealed 2D c(2x2) alloy, the best agreement was found for a structure with PdMn mixed layers as the two outermost layers. The changes in the NO adsorption properties of Mn modified Pd(100) have been investigated using high resolution core level photoemission. NO adsorption on the alloy films was found to destroy the c(2x2) structure. In the case of a surface partly modified by Mn, dissociation at boundaries was found to be most important. Adsorption and reactions of CO, CO2, O2 and NO on a 3D c(2x2)-PdMn surface was studied using photoelectron spectroscopy. The c(2x2) alloy structure was destroyed by O2 and NO adsorption, which involves formation of MnOx on the surface, and these aggregates are crucial for subsequent reactions. Results are also presented that demonstrate that a pseudomorphic two-layer-thick c(2x2) PdMn alloy can be grown on W(110). Investigations of small molecules adsorbed on Pd(100), Rh(111) and Mo(110) surfaces are also presented. Structural models are proposed for NO adsorption on Pd(100) and for the O and CO coadsorption system on Rh(111). The dissociation of CO adsorbed on Mo(110) was studied in detail by core level photoemission.

Original language	English
Qualification	Doctor
Awarding Institution	Synchrotron Radiation Research
Supervisors/Advisors	[unknown], [unknown], Supervisor, External person
Award date	2001 Apr 26
Publisher	Department of Synchrotron Radiation Research, Lund University
ISBN (Print)	91-628-4731-7
Publication status	Published - 2001

Bibliographical note

Defence details

Date: 2001-04-26
Time: 13:15
Place: Fysiska Institutionen SAL B

External reviewer(s)

Name: Netzer, Falko P.
Title: Prof
Affiliation: Austria

---

Article: I.Determination of NO adsorption sites on Pd(100)using core level photoemission and low-energy electron diffractionA.J. Jaworowski, R. Ásmundsson, P.Uvdal and A. SandellSubmitted

Article: II.CO dissociation on Mo(110) studied by high-resolution core-level spectroscopyA.J. Jaworowski, M. Smedh, M. Borg, A. Sandell, A. Beutler, S. L. Sorensen, E. Lundgren, and J.N. AndersenSubmitted

Article: III.Adsorption sites in O and CO coadsorption phases on Rh(111) investigated by high-resolution core-level photoemissionA.J. Jaworowski, A. Beutler, F. Strisland, R. Nyholm, B. Setlik, D. Heskett and J.N. AndersenSurf. Sci. 431 (1999) 33

Article: IV.Two- to Three-dimensional transition during growth and surface alloy formation of Mn on Pd(100)A.J. Jaworowski, S.M. Gray, M. Evans, R. Ásmundsson, P.Uvdal and A. SandellPhys. Rev. B. 63 (2001) 125401 .

Article: V.Geometric and electronic structure of PdMn bimetallic systems on Pd(100)A. Sandell, P.H. Andersson, E. Holmström, A.J. Jaworowski and L. NordströmSubmitted

Article: VI.Mn-induced NO dissociation on Pd(100)A.J. Jaworowski, R. Ásmundsson, P.Uvdal, S. M. Gray and A. SandellSubmitted

Article: VII.Adsorption and reactions on a surface alloy: CO, NO, O2 and CO2 on Pd(100)-Mn-c(2x2)A. Sandell, A.J. Jaworowski, A. Beutler, M. WiklundSurf. Sci. 421 (1999) 116

Article: VIII.An ultra-thin PdMn intermetallic compound on W(110)A.J. Jaworowski and A. SandellAccepted for publication in Surf. Sci.

Subject classification (UKÄ)

Atom and Molecular Physics and Optics
Physical Sciences
Natural Sciences

Free keywords

transition metal
structure
growth
adsorption
core level photoemission. scanning tunneling microscopy
fourier-transform infrared spectroscopy
Manganese
Palladium
Rhodium
Molybdenum
NO
CO
alloy
O
Physics
Fysik
Semiconductory physics
Halvledarfysik
Fysicumarkivet A:2001:Jaworowski

Cite this

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title = "Structural Properties of Palladium-Manganese Alloys",

abstract = "Structural properties of adsorbed overlayers on well-defined single crystals and of Palladium-Manganese surface alloys formed on Pd(100) have been investigated using synchrotron-based photoemission, scanning tunneling microscopy and Fourier-transform infrared spectroscopy. The experimental valence electronic structure of PdMn systems on Pd(100) is compared to density functional calculations (DFT). It is shown that room temperature growth and alloying of Mn on Pd(100) undergoes a two-dimensional to three-dimensional transition. Pd 3d photoemission results show that the 2D c(2x2) alloy contains subsurface Mn and the alloy was found to be terminated by a PdMn mixed layer. Total energy calculations demonstrate that a Pd-terminated Cu3Au structure is energetically more favorable, but the system is not able to reach this state at the used temperature due to kinetic effects. It could be concluded that a flat Mn monolayer formed at 90 K is anti-ferromagnetic in line with earlier predictions. When concerning the annealed 2D c(2x2) alloy, the best agreement was found for a structure with PdMn mixed layers as the two outermost layers. The changes in the NO adsorption properties of Mn modified Pd(100) have been investigated using high resolution core level photoemission. NO adsorption on the alloy films was found to destroy the c(2x2) structure. In the case of a surface partly modified by Mn, dissociation at boundaries was found to be most important. Adsorption and reactions of CO, CO2, O2 and NO on a 3D c(2x2)-PdMn surface was studied using photoelectron spectroscopy. The c(2x2) alloy structure was destroyed by O2 and NO adsorption, which involves formation of MnOx on the surface, and these aggregates are crucial for subsequent reactions. Results are also presented that demonstrate that a pseudomorphic two-layer-thick c(2x2) PdMn alloy can be grown on W(110). Investigations of small molecules adsorbed on Pd(100), Rh(111) and Mo(110) surfaces are also presented. Structural models are proposed for NO adsorption on Pd(100) and for the O and CO coadsorption system on Rh(111). The dissociation of CO adsorbed on Mo(110) was studied in detail by core level photoemission.",

keywords = "transition metal, structure, growth, adsorption, core level photoemission. scanning tunneling microscopy, fourier-transform infrared spectroscopy, Manganese, Palladium, Rhodium, Molybdenum, NO, CO, alloy, O, Physics, Fysik, Semiconductory physics, Halvledarfysik, Fysicumarkivet A:2001:Jaworowski",

author = "Jaworowski, {Alexander J}",

note = "Defence details Date: 2001-04-26 Time: 13:15 Place: Fysiska Institutionen SAL B External reviewer(s) Name: Netzer, Falko P. Title: Prof Affiliation: Austria --- Article: I.Determination of NO adsorption sites on Pd(100)using core level photoemission and low-energy electron diffractionA.J. Jaworowski, R. {\'A}smundsson, P.Uvdal and A. SandellSubmitted Article: II.CO dissociation on Mo(110) studied by high-resolution core-level spectroscopyA.J. Jaworowski, M. Smedh, M. Borg, A. Sandell, A. Beutler, S. L. Sorensen, E. Lundgren, and J.N. AndersenSubmitted Article: III.Adsorption sites in O and CO coadsorption phases on Rh(111) investigated by high-resolution core-level photoemissionA.J. Jaworowski, A. Beutler, F. Strisland, R. Nyholm, B. Setlik, D. Heskett and J.N. AndersenSurf. Sci. 431 (1999) 33 Article: IV.Two- to Three-dimensional transition during growth and surface alloy formation of Mn on Pd(100)A.J. Jaworowski, S.M. Gray, M. Evans, R. {\'A}smundsson, P.Uvdal and A. SandellPhys. Rev. B. 63 (2001) 125401 . Article: V.Geometric and electronic structure of PdMn bimetallic systems on Pd(100)A. Sandell, P.H. Andersson, E. Holmstr{\"o}m, A.J. Jaworowski and L. Nordstr{\"o}mSubmitted Article: VI.Mn-induced NO dissociation on Pd(100)A.J. Jaworowski, R. {\'A}smundsson, P.Uvdal, S. M. Gray and A. SandellSubmitted Article: VII.Adsorption and reactions on a surface alloy: CO, NO, O2 and CO2 on Pd(100)-Mn-c(2x2)A. Sandell, A.J. Jaworowski, A. Beutler, M. WiklundSurf. Sci. 421 (1999) 116 Article: VIII.An ultra-thin PdMn intermetallic compound on W(110)A.J. Jaworowski and A. SandellAccepted for publication in Surf. Sci.",

year = "2001",

language = "English",

isbn = "91-628-4731-7",

publisher = "Department of Synchrotron Radiation Research, Lund University",

type = "Doctoral Thesis (compilation)",

school = "Synchrotron Radiation Research",

}

TY - THES

T1 - Structural Properties of Palladium-Manganese Alloys

AU - Jaworowski, Alexander J

N1 - Defence details Date: 2001-04-26 Time: 13:15 Place: Fysiska Institutionen SAL B External reviewer(s) Name: Netzer, Falko P. Title: Prof Affiliation: Austria --- Article: I.Determination of NO adsorption sites on Pd(100)using core level photoemission and low-energy electron diffractionA.J. Jaworowski, R. Ásmundsson, P.Uvdal and A. SandellSubmitted Article: II.CO dissociation on Mo(110) studied by high-resolution core-level spectroscopyA.J. Jaworowski, M. Smedh, M. Borg, A. Sandell, A. Beutler, S. L. Sorensen, E. Lundgren, and J.N. AndersenSubmitted Article: III.Adsorption sites in O and CO coadsorption phases on Rh(111) investigated by high-resolution core-level photoemissionA.J. Jaworowski, A. Beutler, F. Strisland, R. Nyholm, B. Setlik, D. Heskett and J.N. AndersenSurf. Sci. 431 (1999) 33 Article: IV.Two- to Three-dimensional transition during growth and surface alloy formation of Mn on Pd(100)A.J. Jaworowski, S.M. Gray, M. Evans, R. Ásmundsson, P.Uvdal and A. SandellPhys. Rev. B. 63 (2001) 125401 . Article: V.Geometric and electronic structure of PdMn bimetallic systems on Pd(100)A. Sandell, P.H. Andersson, E. Holmström, A.J. Jaworowski and L. NordströmSubmitted Article: VI.Mn-induced NO dissociation on Pd(100)A.J. Jaworowski, R. Ásmundsson, P.Uvdal, S. M. Gray and A. SandellSubmitted Article: VII.Adsorption and reactions on a surface alloy: CO, NO, O2 and CO2 on Pd(100)-Mn-c(2x2)A. Sandell, A.J. Jaworowski, A. Beutler, M. WiklundSurf. Sci. 421 (1999) 116 Article: VIII.An ultra-thin PdMn intermetallic compound on W(110)A.J. Jaworowski and A. SandellAccepted for publication in Surf. Sci.

PY - 2001

Y1 - 2001

N2 - Structural properties of adsorbed overlayers on well-defined single crystals and of Palladium-Manganese surface alloys formed on Pd(100) have been investigated using synchrotron-based photoemission, scanning tunneling microscopy and Fourier-transform infrared spectroscopy. The experimental valence electronic structure of PdMn systems on Pd(100) is compared to density functional calculations (DFT). It is shown that room temperature growth and alloying of Mn on Pd(100) undergoes a two-dimensional to three-dimensional transition. Pd 3d photoemission results show that the 2D c(2x2) alloy contains subsurface Mn and the alloy was found to be terminated by a PdMn mixed layer. Total energy calculations demonstrate that a Pd-terminated Cu3Au structure is energetically more favorable, but the system is not able to reach this state at the used temperature due to kinetic effects. It could be concluded that a flat Mn monolayer formed at 90 K is anti-ferromagnetic in line with earlier predictions. When concerning the annealed 2D c(2x2) alloy, the best agreement was found for a structure with PdMn mixed layers as the two outermost layers. The changes in the NO adsorption properties of Mn modified Pd(100) have been investigated using high resolution core level photoemission. NO adsorption on the alloy films was found to destroy the c(2x2) structure. In the case of a surface partly modified by Mn, dissociation at boundaries was found to be most important. Adsorption and reactions of CO, CO2, O2 and NO on a 3D c(2x2)-PdMn surface was studied using photoelectron spectroscopy. The c(2x2) alloy structure was destroyed by O2 and NO adsorption, which involves formation of MnOx on the surface, and these aggregates are crucial for subsequent reactions. Results are also presented that demonstrate that a pseudomorphic two-layer-thick c(2x2) PdMn alloy can be grown on W(110). Investigations of small molecules adsorbed on Pd(100), Rh(111) and Mo(110) surfaces are also presented. Structural models are proposed for NO adsorption on Pd(100) and for the O and CO coadsorption system on Rh(111). The dissociation of CO adsorbed on Mo(110) was studied in detail by core level photoemission.

AB - Structural properties of adsorbed overlayers on well-defined single crystals and of Palladium-Manganese surface alloys formed on Pd(100) have been investigated using synchrotron-based photoemission, scanning tunneling microscopy and Fourier-transform infrared spectroscopy. The experimental valence electronic structure of PdMn systems on Pd(100) is compared to density functional calculations (DFT). It is shown that room temperature growth and alloying of Mn on Pd(100) undergoes a two-dimensional to three-dimensional transition. Pd 3d photoemission results show that the 2D c(2x2) alloy contains subsurface Mn and the alloy was found to be terminated by a PdMn mixed layer. Total energy calculations demonstrate that a Pd-terminated Cu3Au structure is energetically more favorable, but the system is not able to reach this state at the used temperature due to kinetic effects. It could be concluded that a flat Mn monolayer formed at 90 K is anti-ferromagnetic in line with earlier predictions. When concerning the annealed 2D c(2x2) alloy, the best agreement was found for a structure with PdMn mixed layers as the two outermost layers. The changes in the NO adsorption properties of Mn modified Pd(100) have been investigated using high resolution core level photoemission. NO adsorption on the alloy films was found to destroy the c(2x2) structure. In the case of a surface partly modified by Mn, dissociation at boundaries was found to be most important. Adsorption and reactions of CO, CO2, O2 and NO on a 3D c(2x2)-PdMn surface was studied using photoelectron spectroscopy. The c(2x2) alloy structure was destroyed by O2 and NO adsorption, which involves formation of MnOx on the surface, and these aggregates are crucial for subsequent reactions. Results are also presented that demonstrate that a pseudomorphic two-layer-thick c(2x2) PdMn alloy can be grown on W(110). Investigations of small molecules adsorbed on Pd(100), Rh(111) and Mo(110) surfaces are also presented. Structural models are proposed for NO adsorption on Pd(100) and for the O and CO coadsorption system on Rh(111). The dissociation of CO adsorbed on Mo(110) was studied in detail by core level photoemission.

KW - transition metal

KW - structure

KW - growth

KW - adsorption

KW - core level photoemission. scanning tunneling microscopy

KW - fourier-transform infrared spectroscopy

KW - Manganese

KW - Palladium

KW - Rhodium

KW - Molybdenum

KW - NO

KW - CO

KW - alloy

KW - O

KW - Physics

KW - Fysik

KW - Semiconductory physics

KW - Halvledarfysik

KW - Fysicumarkivet A:2001:Jaworowski

M3 - Doctoral Thesis (compilation)

SN - 91-628-4731-7

PB - Department of Synchrotron Radiation Research, Lund University

ER -

Structural Properties of Palladium-Manganese Alloys

Abstract

Bibliographical note

Subject classification (UKÄ)

Free keywords

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Cite this