Markus Soldemo

All Publications

• Mechanistic insights into methanol production on Ni5Ga3 thin films: An<i> in</i><i> situ</i> XPS and DFT study APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY Engel, R. Y., Romeggio, F., Ocampo-Restrepo, V. K., Schouenborg, J. F., Billeter, E. R., Soldemo, M., Degerman, D., Garcia-Martinez, F., Kibsgaard, J., Chorkendorff, I., Norskov, J. K., Damsgaard, C. D., Nilsson, A., Lomker, P. 2026; 381

  View details for DOI 10.1016/j.apcatb.2025.125798

  View details for Web of Science ID 001564427500005

• X-ray free electron laser studies of electron and phonon dynamics of graphene adsorbed on copper PHYSICAL REVIEW MATERIALS Ogasawara, H., Wang, H., Gladh, J., Gallo, A., Page, R., Voss, J., Luntz, A., Diesen, E., Abild-Pedersen, F., Nilsson, A., Soldemo, M., Zajac, M., Attar, A., Chen, M. E., Cho, S., Katoch, A., Kim, K., Kim, K., Kim, M., Kwon, S., Park, S., Ribeiro, H., Sainio, S., Wang, H., Yang, C., Heinz, T. 2023; 7 (2)

  View details for DOI 10.1103/PhysRevMaterials.7.024005

  View details for Web of Science ID 000943101300002

• The state of zinc in methanol synthesis over a Zn/ZnO/Cu(211) model catalyst. Science (New York, N.Y.) Amann, P., Klötzer, B., Degerman, D., Köpfle, N., Götsch, T., Lömker, P., Rameshan, C., Ploner, K., Bikaljevic, D., Wang, H. Y., Soldemo, M., Shipilin, M., Goodwin, C. M., Gladh, J., Halldin Stenlid, J., Börner, M., Schlueter, C., Nilsson, A. 2022; 376 (6593): 603-608

  Abstract

  The active chemical state of zinc (Zn) in a zinc-copper (Zn-Cu) catalyst during carbon dioxide/carbon monoxide (CO2/CO) hydrogenation has been debated to be Zn oxide (ZnO) nanoparticles, metallic Zn, or a Zn-Cu surface alloy. We used x-ray photoelectron spectroscopy at 180 to 500 millibar to probe the nature of Zn and reaction intermediates during CO2/CO hydrogenation over Zn/ZnO/Cu(211), where the temperature is sufficiently high for the reaction to rapidly turn over, thus creating an almost adsorbate-free surface. Tuning of the grazing incidence angle makes it possible to achieve either surface or bulk sensitivity. Hydrogenation of CO2 gives preference to ZnO in the form of clusters or nanoparticles, whereas in pure CO a surface Zn-Cu alloy becomes more prominent. The results reveal a specific role of CO in the formation of the Zn-Cu surface alloy as an active phase that facilitates efficient CO2 methanol synthesis.

  View details for DOI 10.1126/science.abj7747

  View details for PubMedID 35511988

• Direct Evidence of Subsurface Oxygen Formation in Oxide-Derived Cu by X-ray Photoelectron Spectroscopy ANGEWANDTE CHEMIE-INTERNATIONAL EDITION Wang, H., Soldemo, M., Degerman, D., Lomker, P., Schlueter, C., Nilsson, A., Amann, P. 2022; 61 (3): e202111021

  Abstract

  Subsurface oxygen has been proposed to be crucial in oxide-derived copper (OD-Cu) electrocatalysts for enhancing the binding of CO intermediates during CO2 reduction reaction (CO2 RR). However, the presence of such oxygen species under reductive conditions still remains debated. In this work, the existence of subsurface oxygen is validated by grazing incident hard X-ray photoelectron spectroscopy, where OD-Cu was prepared by reduction of Cu oxide with H2 without exposing to air. The results suggest two types of subsurface oxygen embedded between the fully reduced metallic surface and the Cu2 O buried beneath: (i) oxygen staying at lattice defects and/or vacancies in the surface-most region and (ii) interstitial oxygen intercalated in metal structure. This study adds convincing support to the presence of subsurface oxygen in OD-Cu, which previously has been suggested to play an important role to mitigate the σ-repulsion of Cu for CO intermediates in CO2 RR.

  View details for DOI 10.1002/anie.202111021

  View details for Web of Science ID 000773454800008

  View details for PubMedID 34758161

• Stroboscopic operando spectroscopy of the dynamics in heterogeneous catalysis by event-averaging NATURE COMMUNICATIONS Knudsen, J., Gallo, T., Boix, V., Stromsheim, M., D'Acunto, G., Goodwin, C., Wallander, H., Zhu, S., Soldemo, M., Lomker, P., Cavalca, F., Scardamaglia, M., Degerman, D., Nilsson, A., Amann, P., Shavorskiy, A., Schnadt, J. 2021; 12 (1): 6117

  Abstract

  Heterogeneous catalyst surfaces are dynamic entities that respond rapidly to changes in their local gas environment, and the dynamics of the response is a decisive factor for the catalysts' action and activity. Few probes are able to map catalyst structure and local gas environment simultaneously under reaction conditions at the timescales of the dynamic changes. Here we use the CO oxidation reaction and a Pd(100) model catalyst to demonstrate how such studies can be performed by time-resolved ambient pressure photoelectron spectroscopy. Central elements of the method are cyclic gas pulsing and software-based event-averaging by image recognition of spectral features. A key finding is that at 3.2 mbar total pressure a metallic, predominantly CO-covered metallic surface turns highly active for a few seconds once the O2:CO ratio becomes high enough to lift the CO poisoning effect before mass transport limitations triggers formation of a √5 oxide.

  View details for DOI 10.1038/s41467-021-26372-y

  View details for Web of Science ID 000710514300002

  View details for PubMedID 34675205

  View details for PubMedCentralID PMC8531341

• Sulfur dioxide interaction with thin iron oxide films on low-index surfaces of iron SURFACE SCIENCE Soldemo, M., Weissenrieder, J. 2021; 714

  View details for DOI 10.1016/j.susc.2021.121935

  View details for Web of Science ID 000701991200007

• Inverse single-site Fe-1(OH)(X)/Pt(111) model catalyst for preferential oxidation of CO in H-2 NANO RESEARCH Wang, C., Tissot, H., Soldemo, M., Lu, J., Weissenrieder, J. 2022; 15 (1): 709-715

  View details for DOI 10.1007/s12274-021-3551-4

  View details for Web of Science ID 000664423800004

• Chemisorbed oxygen or surface oxides steer the selectivity in Pd electrocatalytic propene oxidation observed by operando Pd L-edge X-ray absorption spectroscopy CATALYSIS SCIENCE & TECHNOLOGY Koroidov, S., Winiwarter, A., Diaz-Morales, O., Gorlin, M., Stenlid, J., Wang, H., Borner, M., Goodwin, C., Soldemo, M., Pettersson, L., Rossmeisl, J., Hansson, T., Chorkendorff, I., Nilsson, A. 2021; 11 (10): 3347-3352

  View details for DOI 10.1039/d0cy02134b

  View details for Web of Science ID 000653964500028

• Interaction of Atomic Hydrogen with the Cu2O(100) and (111) Surfaces JOURNAL OF PHYSICAL CHEMISTRY C Tissot, H., Wang, C., Stenlid, J., Panahi, M., Kaya, S., Soldemo, M., Yazdi, M., Brinck, T., Weissenrieder, J. 2019; 123 (36): 22172-22180

  View details for DOI 10.1021/acs.jpcc.9b03888

  View details for Web of Science ID 000486360900036

• Adsorption and Decomposition of Ethanol on Cu2O(111) and (100) JOURNAL OF PHYSICAL CHEMISTRY C Marks, K., Besharat, Z., Soldemo, M., Onsten, A., Weissenrieder, J., Stenlid, J., Ostrom, H., Gothelid, M. 2019; 123 (33): 20384-20392

  View details for DOI 10.1021/acs.jpcc.9b05394

  View details for Web of Science ID 000482545700035

• Initial Fe3O4(100) Formation on Fe(100) JOURNAL OF PHYSICAL CHEMISTRY C Soldemo, M., Vandichel, M., Gronbeck, H., Weissenrieder, J. 2019; 123 (26): 16317-16325

  View details for DOI 10.1021/acs.jpcc.9b04625

  View details for Web of Science ID 000474796600046

• Structure dependent effect of silicon on the oxidation of Al(111) and Al(100) SURFACE SCIENCE Yazdi, M. G., Lousada, C. M., Evertsson, J., Rullik, L., Soldemo, M., Bertram, F., Korzhavyi, P. A., Weissenrieder, J., Lundgren, E., Gothelid, M. 2019; 684: 1-11

  View details for DOI 10.1016/j.susc.2019.02.005

  View details for Web of Science ID 000470192900001

• Atomically dispersed iron hydroxide anchored on Pt for preferential oxidation of CO in H-2 NATURE Cao, L., Liu, W., Luo, Q., Yin, R., Wang, B., Weissenrieder, J., Soldemo, M., Yan, H., Lin, Y., Sun, Z., Ma, C., Zhang, W., Chen, S., Wang, H., Guan, Q., Yao, T., Wei, S., Yang, J., Lu, J. 2019; 565 (7741): 631-635

  Abstract

  Proton-exchange-membrane fuel cells (PEMFCs) are attractive next-generation power sources for use in vehicles and other applications1, with development efforts focusing on improving the catalyst system of the fuel cell. One problem is catalyst poisoning by impurity gases such as carbon monoxide (CO), which typically comprises about one per cent of hydrogen fuel2-4. A possible solution is on-board hydrogen purification, which involves preferential oxidation of CO in hydrogen (PROX)3-7. However, this approach is challenging8-15 because the catalyst needs to be active and selective towards CO oxidation over a broad range of low temperatures so that CO is efficiently removed (to below 50 parts per million) during continuous PEMFC operation (at about 353 kelvin) and, in the case of automotive fuel cells, during frequent cold-start periods. Here we show that atomically dispersed iron hydroxide, selectively deposited on silica-supported platinum (Pt) nanoparticles, enables complete and 100 per cent selective CO removal through the PROX reaction over the broad temperature range of 198 to 380 kelvin. We find that the mass-specific activity of this system is about 30 times higher than that of more conventional catalysts consisting of Pt on iron oxide supports. In situ X-ray absorption fine-structure measurements reveal that most of the iron hydroxide exists as Fe1(OH)x clusters anchored on the Pt nanoparticles, with density functional theory calculations indicating that Fe1(OH)x-Pt single interfacial sites can readily react with CO and facilitate oxygen activation. These findings suggest that in addition to strategies that target oxide-supported precious-metal nanoparticles or isolated metal atoms, the deposition of isolated transition-metal complexes offers new ways of designing highly active metal catalysts.

  View details for DOI 10.1038/s41586-018-0869-5

  View details for Web of Science ID 000457404000045

  View details for PubMedID 30700869

• Scanning tunneling microscopy study of PTCDI on Sn/Si(111)-2 root 3 x 2 root 3 JOURNAL OF CHEMICAL PHYSICS Emanuelsson, C., Soldemo, M. A., Johansson, L. O., Zhang, H. M. 2019; 150 (4): 044709

  Abstract

  Perylene tetracarboxylic diimide molecules were evaporated onto a Sn/Si(111)-23×23 surface and studied using scanning tunneling microscopy (STM) and low energy electron diffraction. At low coverages, single molecules are locked into specific adsorption geometries, which are investigated in detail using high resolution STM. The electronic structure of these individual molecules was studied using bias dependent STM images. The molecules form 1D rows that become more common with increasing coverages. Possible intermolecular O⋯H interactions within the rows have been identified. At around half of a monolayer (ML), the rows of molecules interact with each other and form a commensurate 43×23 reconstruction. In a complete monolayer, several structures emerge as molecules fill in the space between the 43×23 stripes. Possible intermolecular interactions within the 1 ML structures have been discussed. At coverages above 1 ML, the growth is characterized by island growth, where the molecules are arranged according to the canted structure within the layers.

  View details for DOI 10.1063/1.5070120

  View details for Web of Science ID 000457414600075

  View details for PubMedID 30709244

• Interaction of Sulfur Dioxide and Near-Ambient Pressures of Water Vapor with Cuprous Oxide Surfaces JOURNAL OF PHYSICAL CHEMISTRY C Soldemo, M., Stenlid, J., Besharat, Z., Johansson, N., Onsten, A., Knudsen, J., Schnadt, J., Gothelid, M., Brinck, T., Weissenrieder, J. 2017; 121 (43): 24011-24024

  View details for DOI 10.1021/acs.jpcc.7b06486

  View details for Web of Science ID 000414724300019

• Dehydrogenation of methanol on Cu2O(100) and (111) JOURNAL OF CHEMICAL PHYSICS Besharat, Z., Stenlid, J., Soldemo, M., Marks, K., Onsten, A., Johnson, M., Ostrom, H., Weissenrieder, J., Brinck, T., Gothelid, M. 2017; 146 (24): 244702

  Abstract

  Adsorption and desorption of methanol on the (111) and (100) surfaces of Cu2O have been studied using high-resolution photoelectron spectroscopy in the temperature range 120-620 K, in combination with density functional theory calculations and sum frequency generation spectroscopy. The bare (100) surface exhibits a (3,0; 1,1) reconstruction but restructures during the adsorption process into a Cu-dimer geometry stabilized by methoxy and hydrogen binding in Cu-bridge sites. During the restructuring process, oxygen atoms from the bulk that can host hydrogen appear on the surface. Heating transforms methoxy to formaldehyde, but further dehydrogenation is limited by the stability of the surface and the limited access to surface oxygen. The (√3 × √3)R30°-reconstructed (111) surface is based on ordered surface oxygen and copper ions and vacancies, which offers a palette of adsorption and reaction sites. Already at 140 K, a mixed layer of methoxy, formaldehyde, and CHxOy is formed. Heating to room temperature leaves OCH and CHx. Thus both CH-bond breaking and CO-scission are active on this surface at low temperature. The higher ability to dehydrogenate methanol on (111) compared to (100) is explained by the multitude of adsorption sites and, in particular, the availability of surface oxygen.

  View details for DOI 10.1063/1.4989472

  View details for Web of Science ID 000404302600033

  View details for PubMedID 28668016

• Applicability of MOS structures in monitoring catalytic properties, as exemplified for monolayer-iron-oxide-coated porous platinum films JOURNAL OF CATALYSIS Fashandi, H., Soldemo, M., Weissenrieder, J., Gothelid, M., Eriksson, J., Eklund, P., Spetz, A., Andersson, M. 2016; 344: 583-590

  View details for DOI 10.1016/j.jcat.2016.10.018

  View details for Web of Science ID 000390182800057

• The Surface Structure of Cu2O(100) JOURNAL OF PHYSICAL CHEMISTRY C Soldemo, M., Stenlid, J., Besharat, Z., Yazdi, M., Onsten, A., Leygraf, C., Gothelid, M., Brinck, T., Weissenrieder, J. 2016; 120 (8): 4373-4381

  View details for DOI 10.1021/acs.jpcc.5b11350

  View details for Web of Science ID 000371562000024

• Oxidation of Fe(110) in oxygen gas at 400 degrees C SURFACE SCIENCE Soldemo, M., Lundgren, E., Weissenrieder, J. 2016; 644: 172-179

  View details for DOI 10.1016/j.susc.2015.10.058

  View details for Web of Science ID 000367489000027

• Reactivity at the Cu2O(100):Cu-H2O interface: a combined DFT and PES study PHYSICAL CHEMISTRY CHEMICAL PHYSICS Stenlid, J. H., Soldemo, M., Johansson, A. J., Leygraf, C., Gothelid, M., Weissenrieder, J., Brinck, T. 2016; 18 (44): 30570-30584

  Abstract

  The water-cuprite interface plays an important role in dictating surface related properties. This not only applies to the oxide, but also to metallic copper, which is covered by an oxide film under typical operational conditions. In order to extend the currently scarce knowledge of the details of the water-oxide interplay, water interactions and reactions on a common Cu2O(100):Cu surface have been studied using high-resolution photoelectron spectroscopy (PES) as well as Hubbard U and dispersion corrected density functional theory (PBE-D3+U) calculations up to a bilayer water coverage. The PBE-D3+U results are compared with PBE, PBE-D3 and hybrid HSE06-D3 calculation results. Both computational and experimental results support a thermodynamically favored, and H2O coverage independent, surface OH coverage of 0.25-0.5 ML, which is larger than the previously reported value. The computations indicate that the results are consistent also for ambient temperatures under wet/humid and oxygen lean conditions. In addition, both DFT and PES results indicate that the initial (3,0;1,1) surface reconstruction is lifted upon water adsorption to form an unreconstructed (1 × 1) Cu2O(100) structure.

  View details for DOI 10.1039/c6cp04410g

  View details for Web of Science ID 000388492900038

  View details for PubMedID 27785495

• The thickness of native oxides on aluminum alloys and single crystals APPLIED SURFACE SCIENCE Evertsson, J., Bertram, F., Zhang, F., Rullik, L., Merte, L. R., Shipilin, M., Soldemo, M., Ahmadi, S., Vinogradov, N., Carla, F., Weissenrieder, J., Gothelid, M., Pan, J., Mikkelsen, A., Nilsson, J., Lundgren, E. 2015; 349: 826-832

  View details for DOI 10.1016/j.apsusc.2015.05.043

  View details for Web of Science ID 000357129100109

• A well-ordered surface oxide on Fe(110) SURFACE SCIENCE Soldemo, M., Niu, Y., Zakharov, A., Lundgren, E., Weissenrieder, J. 2015; 639: 13-19

  View details for DOI 10.1016/j.susc.2015.04.008

  View details for Web of Science ID 000356546000003

• Auger recombination in In(Ga)Sb/InAs quantum dots APPLIED PHYSICS LETTERS Zabel, T., Hedlund, C., Gustafsson, O., Karim, A., Berggren, J., Wang, Q., Ernerheim-Jokumsen, C., Soldemo, M., Weissenrieder, J., Gotelid, M., Hammar, M. 2015; 106 (1)

  View details for DOI 10.1063/1.4905455

  View details for Web of Science ID 000347976900047

• Mechanistic Study of CO Titration on CuxO/Cu(111) (x <= 2) Surfaces CHEMCATCHEM An, W., Baber, A. E., Xu, F., Soldemo, M., Weissenrieder, J., Stacchiola, D., Liu, P. 2014; 6 (8): 2364-2372

  View details for DOI 10.1002/cctc.201402177

  View details for Web of Science ID 000340574600034

• Redox-Mediated Reconstruction of Copper during Carbon Monoxide Oxidation JOURNAL OF PHYSICAL CHEMISTRY C Xu, F., Mudiyanselage, K., Baber, A. E., Soldemo, M., Weissenrieder, J., White, M. G., Stacchiola, D. J. 2014; 118 (29): 15902-15909

  View details for DOI 10.1021/jp5050496

  View details for Web of Science ID 000339540700038

• Stabilization of Catalytically Active Cu plus Surface Sites on TitaniumCopper Mixed-Oxide Films** ANGEWANDTE CHEMIE-INTERNATIONAL EDITION Baber, A. E., Yang, X., Kim, H., Mudiyanselage, K., Soldemo, M., Weissenrieder, J., Senanayake, S. D., Al-Mahboob, A., Sadowski, J. T., Evans, J., Rodriguez, J. A., Liu, P., Hoffmann, F. M., Chen, J. G., Stacchiola, D. J. 2014; 53 (21): 5336-5340

  Abstract

  The oxidation of CO is the archetypal heterogeneous catalytic reaction and plays a central role in the advancement of fundamental studies, the control of automobile emissions, and industrial oxidation reactions. Copper-based catalysts were the first catalysts that were reported to enable the oxidation of CO at room temperature, but a lack of stability at the elevated reaction temperatures that are used in automobile catalytic converters, in particular the loss of the most reactive Cu(+) cations, leads to their deactivation. Using a combined experimental and theoretical approach, it is shown how the incorporation of titanium cations in a Cu2O film leads to the formation of a stable mixed-metal oxide with a Cu(+) terminated surface that is highly active for CO oxidation.

  View details for DOI 10.1002/anie.201402435

  View details for Web of Science ID 000335809200014

  View details for PubMedID 24719231

• In Situ Imaging of Cu2O under Reducing Conditions: Formation of Metallic Fronts by Mass Transfer JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Baber, A. E., Xu, F., Dvorak, F., Mudiyanselage, K., Soldemo, M., Weissenrieder, J., Senanayake, S. D., Sadowski, J. T., Rodriguez, J. A., Matolin, V., White, M. G., Stacchiola, D. J. 2013; 135 (45): 16781-16784

  Abstract

  Active catalytic sites have traditionally been analyzed based on static representations of surface structures and characterization of materials before or after reactions. We show here by a combination of in situ microscopy and spectroscopy techniques that, in the presence of reactants, an oxide catalyst's chemical state and morphology are dynamically modified. The reduction of Cu2O films is studied under ambient pressures (AP) of CO. The use of complementary techniques allows us to identify intermediate surface oxide phases and determine how reaction fronts propagate across the surface by massive mass transfer of Cu atoms released during the reduction of the oxide phase in the presence of CO. High resolution in situ imaging by AP scanning tunneling microscopy (AP-STM) shows that the reduction of the oxide films is initiated at defects both on step edges and the center of oxide terraces.

  View details for DOI 10.1021/ja408506y

  View details for Web of Science ID 000327103600010

  View details for PubMedID 24168720

• CO Oxidation Over Monolayer Manganese Oxide Films on Pt(111) CATALYSIS LETTERS Martynova, Y., Soldemo, M., Weissenrieder, J., Sachert, S., Polzin, S., Widdra, W., Shaikhutdinov, S., Freund, H. 2013; 143 (11): 1108-1115

  View details for DOI 10.1007/s10562-013-1117-0

  View details for Web of Science ID 000326893300003

• Photoluminescence and photoresponse from InSb/InAs-based quantum dot structures OPTICS EXPRESS Gustafsson, O., Karim, A., Berggren, J., Wang, Q., Reuterskiold-Hedlund, C., Ernerheim-Jokumsen, C., Soldemo, M., Weissenrieder, J., Persson, S., Almqvist, S., Ekenberg, U., Noharet, B., Asplund, C., Gothelid, M., Andersson, J. Y., Hammar, M. 2012; 20 (19): 21264-21271

  Abstract

  InSb-based quantum dots grown by metal-organic vapor-phase epitaxy (MOVPE) on InAs substrates are studied for use as the active material in interband photon detectors. Long-wavelength infrared (LWIR) photoluminescence is demonstrated with peak emission at 8.5 µm and photoresponse, interpreted to originate from type-II interband transitions in a p-i-n photodiode, was measured up to 6 µm, both at 80 K. The possibilities and benefits of operation in the LWIR range (8-12 µm) are discussed and the results suggest that InSb-based quantum dot structures can be suitable candidates for photon detection in the LWIR regime.

  View details for DOI 10.1364/OE.20.021264

  View details for Web of Science ID 000308865600068

  View details for PubMedID 23037249