Stenlid Lab
at Chalmers University of Technology in Gothenburg, Sweden
Embedded Files
2025
2025
Operando Characterization of Fe in Doped NixFe(1–x)OyHz Catalysts for Electrochemical Oxygen Evolution
JH Stenlid, M Görlin, O Diaz-Morales, B Davies, V Grigorev, D Degerman, A Kalinko, M Börner, M Shipilin, M Bauer, A Gallo, F Abild-Pedersen, M Bajdich, A Nilsson, S Koroidov, J. Am. Chem. Soc. 147, 4120–4134, 2025
2024
2024
Computational Insights into Electrolyte-Dependent Li-Ion Charge-Transfer Kinetics at the LixCoO2 Interface
JH Stenlid*, P Žguns, D Vivona, A Aggarwal, K Gordiz, Y Zhang, S Pathak, MZ Bazant, Y Shao-Horn, A Baskin, JW Lawson, ACS Energy Letters 9, 3608-3617, 2024Revealing the Molecular Origin of Driving Forces and Thermodynamic Barriers for Li+ Ion Transport to Electrode–Electrolyte Interfaces
A Aggarwal, K Gordiz, A Baskin, D Vivona, JH Stenlid, JW Lawson, JC Grossman, Y Shao-Horn, The Journal of Physical Chemistry C, 128, 12903–12915, 2024Revealing Local and Directional Aspects of Catalytic Active Sites by the Nuclear and Surface Electrostatic Potential
JH Stenlid*, F Abild-Pedersen, The Journal of Physical Chemistry C, 128, 4544-4558, 2024A First-Principles Approach to Modeling Surface Site Stabilities on Multimetallic Catalysts
S Saini, JH Stenlid, S Deo, PN Plessow, F Abild-Pedersen, ACS Catalysis 14, 874-885, 2024A Water-Promoted Mars−van Krevelen Reaction Dominates Low-Temperature CO Oxidation over Au-Fe2O3 but Not over Au-TiO2
A Holm, B Davies, S Boscolo Bibi, F Moncada, JH Stenlid, L Paškevičius, V Claman, A Slabon, C-W Tai, E Campos dos Santos, S Koroidov, ACS Catalysis 14, 3191-3197, 2024
2023
2023
Assessing Catalytic Rates of Bimetallic Nanoparticles with Active Site Specificity-A Case Study using NO Decomposition
JH Stenlid, V Streibel, TS Choksi, F Abild-Pedersen, Chem Catalysis, 3, 100636, 2023Dynamic and reversible transformations of subnanometre-sized palladium on ceria for efficient methane removal
D Jiang§, G Wan§, JH Stenlid§, CE García-Vargas, J Zhang, C Sun, J Li, F Abild-Pedersen, CJ Tassone, Y Wang, Nature Catalysis, 6, 618-627, 2023
2022
2022
Atom-Specific Probing of Electron Dynamics in an Atomic Adsorbate by Time-Resolved X-ray Spectroscopy
S Schreck, E Diesen, M Dell'Angela, C Liu, M Weston, F Capotondi, H Ogasawara, J LaRue, R Costantini, M Beye, PS Miedema, JH Stenlid, J Gladh, B Liu, H-Y Wang, F Perakis, F Cavalca, S Koroidov, P Amann, E Pedersoli, D Naumenko, I Nikolov, L Raimondi, F Abild-Pedersen, TF Heinz, J Voss, AC Luntz, A Nilsson, Physical Review Letters 129, 276001, 2022Electronic Structure Factors and the Importance of Adsorbate Effects in Chemisorption on Surface Alloys
S Saini, JH Stenlid, F Abild-Pedersen, npj Computational Materials, 8, 1-12, 2022Screening Binary Alloys for Electrochemical CO2 Reduction Towards Multi-Carbon Products
J Li, JH Stenlid, MT Tang, H-J Peng, F Abild-Pedersen, Journal of Materials Chemistry A, 10, 16171-16181, 2022Catalytic Performance and Near-Surface X-ray Characterization of Titanium Hydride Electrodes for the Electrochemical Nitrate Reduction Reaction
MJ Liu, J Guo, AS Hoffman, JH Stenlid, MT Tang, ER Corson, KH Stone, F Abild-Pedersen, SR Bare, WA Tarpeh, Journal of the American Chemical Society, 144, 5739-5744, 2022The State of Zn in Methanol Synthesis over a Zn/ZnO/Cu(211) Model Catalyst
P Amann, B Klötzer, D Degerman, N Köpfle, T Götsch, P Lömker, C Rameshan, K Ploner, D Bikaljevic, H-Y Wang, M Soldemo, M Shipilin, CM Goodwin, J Gladh, JH Stenlid, M Börner, C Schlueter, A Nilsson, Science, 376, 603-608, 2022Trends in Oxygenate/Hydrocarbon Selectivity for Electrochemical CO(2) Reduction to C2 Products
H-J Peng, MT Tang, JH Stenlid, X Liu, F Abild-Pedersen, Nature Communications, 13, 1399, 2022Vernier Template Synthesis of Molecular Knots
Z Ashbridge, E Kreidt, L Pirvu, F Schaufelberger, JH Stenlid, Frank Abild-Pedersen, David A Leigh, Science, 375, 1035-1041, 2022Stabilization of Cu2O Through Site-Selective Formation of a Co1Cu Hybrid Single-Atom Catalyst
C Wang, Y Kong, M Soldemo, Z Wu, H Tissot, B Karagoz, K Marks, JH Stenlid, A Shavorskiy, E Kokkonen, S Kaya, D Stacchiola, J Weissenrieder, Chemistry of Materials, 34, 2313–2320, 2022Exploring Trends on Coupling Mechanisms toward C3 Product Formation in CO(2)R
MT Tang, HJ Peng, JH Stenlid, F Abild-Pedersen, The Journal of Physical Chemistry C, 125, 26437-26447, 2022
2021
2021
Modeling Potential-Dependent Electrochemical Activation Barriers: Revisiting the Alkaline Hydrogen Evolution Reaction
J Li, JH Stenlid, T Ludwig, P Schlexer Lamoureux, F Abild-Pedersen, Journal of the American Chemical Society, 143, 19341–19355, 2021The Role of Roughening to Enhance Selectivity to C2+ Products during CO2 Electroreduction on Copper
JA Gauthier§, JH Stenlid§, F Abild-Pedersen, M Head-Gordon, AT Bell, ACS Energy Letters, 6, 3252-3260, 2021Catalytic Conversion of Acetic Acid to Ketene on Cu2O(100): Reaction Mechanism deduced from Experimental Observations and Theoretical Computations
H Tissot, JH Stenlid, C Wang, M Panahi, S Kaya, T Brinck, Y Sassa, F. Johansson, Journal of Catalysis, 402, 154-165, 2021Properties of Interfaces Between Copper and Copper Sulphide/Oxide Films
JH Stenlid*, EC dos Santos, AJ Johansson, LGM Pettersson, Corrosion Science, 183, 109313, 2021Chemisorbed Oxygen or Surface Oxides Steer the Selectivity in Pd Electrocatalytic Propene Oxidation Observed by Operando Pd L-edge X-ray Absorption Spectroscopy
S Koroidov, A Winiwarter, O Diaz-Morales, M Görlin, JH Stenlid, HY Wang, M Börner, CM Goodwin, M Soldemo, LGM Pettersson, J Rossmeisl, T Hansson, I Chorkendorff, A Nilsson, Catalysis Science & Technology, 11, 3347-3352, 2021
2020
2020
Uncovering the Electrochemical Interface of Low-Index Copper Surfaces in Deep Groundwater Environments
JH Stenlid*, EC dos Santos, RM Arán-Ais, A Bagger, AJ Johansson, B Roldan Cuenya, J Rossmeisl, LGM Pettersson, Electrochimica Acta, 362, 137111, 2020Key Activity Descriptors of Nickel-Iron Oxygen Evolution Electrocatalysts in the Presence of Alkali Metal Cations
M Görlin, JH Stenlid, S Koroidov, HY Wang, M Börner, M Shipilin, A Kalinko, V Murzin, OV Safonova, M Nachtegaal, A Uheida, J Dutta, M Bauer, A Nilsson, O Diaz-Morales, Nature Communications, 11, 1-11, 2020Nanoscale Spatial Distribution of Supported Nanoparticles Controls Activity and Stability in Powder Catalysts
A Holm, AD Goodman, JH Stenlid, A Aitbekova, R Zelaya, BT Diroll, AC Johnston-Peck, K-C Kao, CW Frank, LGM Pettersson, M Cargnello, Journal of the American Chemical Society, 142, 14481-14494, 2020Tying Different Knots in a Molecular Strand
DA Leigh, F Schaufelberger, L Pirvu, JH Stenlid, DP August, J Segard, Nature, 584, 562-568, 2020Utilizing the Surface Electrostatic Potential to Predict the Interactions of Pt and Ni Nanoparticles with Lewis Acids and Bases–σ-Lumps and σ-Holes Govern the Catalytic Activities
G Li, JH Stenlid, MSG Ahlquist, T Brinck, The Journal of Physical Chemistry C, 124, 14696–14705, 2020Electrochemical Interface During Corrosion of Copper in Anoxic Sulfide-Containing Groundwater – a Computational Study
JH Stenlid*, EC dos Santos, A Bagger, AJ Johansson, J Rossmeisl, LGM Pettersson, The Journal of Physical Chemistry C, 124, 469-481, 2020Photodriven CO Dimerization on Cu2O from an Electronic-Structure Perspective
S Hedström§, JH Stenlid§, C Liu, LGM Pettersson, Sustainable Energy & Fuels, 4, 670-677, 2020
2019
2019
High-density Isolated Fe1O3 Sites on a Single-crystal Cu2O(100) Surface
C Wang, H Tissot, JH Stenlid, M Panahi, S Kaya, J Weissenrieder, The Journal of Physical Chemistry Letters, 10, 7318-7323, 2019The Local Electron Attachment Energy and the Electrostatic Potential as Descriptors of Surface-Adsorbate Interactions
JH Stenlid*, AJ Johansson, T Brinck, Physical Chemistry Chemical Physics, 21, 17001-17009, 2019Ab Initio Cyclic Voltammetry on Cu(111), Cu(100) and Cu(110) in Acidic, Neutral and Alkaline Solutions
A Bagger, RM Arán-Ais, JH Stenlid, EC dos Santos, L Arnarson, KD Jensen, ME Escribano, BR Cuyena, J Rossmeisl, ChemPhysChem, 20, 7318-7323, 2019Interaction of Atomic Hydrogen with the Cu2O(100) and (111) Surfaces
H Tissot, C Wang, JH Stenlid, M Panahi, S Kaya, M Soldemo, MG Yazdi, T Brinck, J Weissenrieder, The Journal of Physical Chemistry C, 123, 22172−22180, 2019Amorphous, Periodic Model of a Copper Electrocatalyst with Subsurface Oxygen for Enhanced CO Coverage and Dimerization
C Liu, S Hedström, JH Stenlid, LGM Pettersson, The Journal of Physical Chemistry C, 123, 4961-4968, 2019Adsorption and Decomposition of Ethanol on Cu2O(111) and (100)
K Marks, Z Besharat, M Soldemo, A Önsten, J Weissenrieder, JH Stenlid, H Öström, M Göthelid, The Journal of Physical Chemistry C, 123, 20384-20392, 2019The Molecular Surface Property Approach: A Guide to Chemical Interactions in Chemistry, Medicine, and Material Science
T Brinck, JH Stenlid*, Advanced Theory and Simulations, 2, 1800149, 2019On the Nature of the Cathodic Reaction during Corrosion of Copper in Anoxic Sulfide Solutions
JH Stenlid*, EC dos Santos, AJ Johansson, LGM Pettersson, The Journal of the Electrochemical Society, 166, C196-C208, 2019The Surface Structure of Cu2O(100): Nature of Defects
H Tissot, C Wang, JH Stenlid, T Brinck, J Weissenrieder, The Journal of Physical Chemistry C, 123, 7696–7704, 2019
2018
2018
Theoretical Investigation into Rate-Determining Factors in Electrophilic Aromatic Halogenation
M Liljenberg, JH Stenlid, T Brinck, The Journal of Physical Chemistry A, 122, 3270-3279, 2018σ-Holes and σ-Lumps Direct the Lewis Basic and Acidic Interactions of Noble Metal Nanoparticles: Introducing Regium Bonds
JH Stenlid, AJ Johansson, T Brinck, Physical Chemistry Chemical Physics, 20, 2676-2692, 2018Mechanism and Regioselectivity of Electrophilic Aromatic Nitration in Solution: the Validity of the Transition State Approach
M Liljenberg, JH Stenlid, T Brinck, Journal of Molecular Modeling, 24, 15, 2018
2017-2012
2017-2012
Local Lewis Acidity of (TiO2)n (n=7–10) Nanoparticles Characterized by DFT-Based Descriptors: Tools for Catalyst Design
JH Stenlid, AJ Johansson, T Brinck, The Journal of Physical Chemistry C, 121, 27483-27492, 2017On the Kinetic and Thermodynamic Properties of Aryl Radicals Using Electrochemical and Theoretical Approaches
L Koefoed, K Vase, JH Stenlid, T Brinck, Y Yoshimura, H Lund, SU Pedersen, K Daasbjerg, ChemElectroChem, 4, 3212–3221, 2017Interaction of Sulfur Dioxide and Near-Ambient Pressures of Water Vapor with Cuprous Oxide Surfaces
M Soldemo, JH Stenlid, Z Besharat, N Johansson, A Önsten, J Knudsen, J Schnadt, M Göthelid, T Brinck, J Weissenrieder, The Journal of Physical Chemistry C, 121, 24011-24024, 2017Extending the σ-Hole Concept to Metals: An Electrostatic Interpretation of the Effects of Nanostructure in Gold and Platinum Catalysis
JH Stenlid, T Brinck, Journal of the American Chemical Society, 139, 11012-11015, 2017σ-Holes on Transition Metal Nanoclusters and Their Influence on the Local Lewis Acidity
JH Stenlid, AJ Johansson, T Brinck, Crystals, 7, 222, 2017Dehydrogenation of Methanol on Cu2O(100) and (111)
Z Besharat, JH Stenlid, M Soldemo, K Marks, A Önsten, M Johnson, H Öström, J Weissenrieder, T Brinck, M Göthelid, The Journal of Chemical Physics, 146, 244702, 2017Computational Analysis of the Early Stage of Cuprous Oxide Sulphidation: a Top-down Process
JH Stenlid, AJ Johansson, C Leygraf, T Brinck, Corrosion Engineering, Science and Technology, 52, 50-53, 2017Nucleophilic Aromatic Substitution Reactions Described by the Local Electron Attachment Energy
JH Stenlid, T Brinck, The Journal of Organic Chemistry 82, 3072-3083, 2017Local Electron Attachment Energy and Its Use for Predicting Nucleophilic Reactions and Halogen Bonding
T Brinck, P Carlqvist, JH Stenlid, The Journal of Physical Chemistry A, 120, 10023-10032, 2016Reactivity at the Cu2O(100):Cu–H2O Interface: a Combined DFT and PES Study
JH Stenlid, M Soldemo, AJ Johansson, C Leygraf, M Göthelid, J Weissenrieder, T Brinck, Physical Chemistry Chemical Physics, 18, 30570-30584, 2016The Surface Structure of Cu2O(100)
M Soldemo, JH Stenlid, Z Besharat, M Ghadami Yazdi, A Önsten, C Leygraf, M Göthelid, T Brinck, J Weissenrieder, The Journal of Physical Chemistry C, 120, 4373-4381, 2016Aqueous Solvation and Surface Oxidation of the Cu7 Nanoparticle: Insights from Theoretical Modeling
JH Stenlid, AJ Johansson, L Kloo, T Brinck, The Journal of Physical Chemistry C, 120, 1977-1988, 2016Searching for the Thermodynamic Limit – a DFT Study of the Step-wise Water Oxidation of the Bipyramidal Cu7 Cluster
JH Stenlid, AJ Johansson, T Brinck, Physical Chemistry Chemical Physics, 16, 2452-2464, 2014Poly(styrene) Resin‐Supported Cobalt(III) Salen Cyclic Oligomers as Active Heterogeneous HKR Catalysts
MGC Kahn, JH Stenlid, M Weck, Advanced Synthesis & Catalysis, 354, 3016-3024, 2012
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