Benjamin Williamson

About

Current Work

My current work involves using quantum mechanical simulations methods, such as density functional theory (DFT), ab initio molecular dynamics (MD), and self-consistent quasiparticle GW theory to characterise and predict functional materials.

My main focus is towards elucidating the ferroelectric properties of tetragonal tungsten bronzes within the HT2B project within the FACET group at the Department of Materials Science and Engineering at NTNU. Other projects within the group include understanding the role of ionic diffusion in solid electrolytes for battery applications, as well as the discovery of novel materials.

In addition to this, my interests span across a range of functional materials including transparent conductors, thermoelectrics, photovoltaics and photocatalysis for water splitting and carbon dioxide reduction.

Advisor: Prof. Tor Grande

PhD and Previous Work

Supervisor: Prof. David O. Scanlon, University College London

My work has centred around the bulk electronic and defect properties in semiconductors for a range of applications including: n and p-type transparent conductors, photocatalysis, photovoltaics and thermoelectrics. My work has involved the use of computational simulations to further the understanding that the role of defects and dopants play with respect to the electronic structure as well as using predictive tools to find the next generation of functional materials.

Publications

Google Scholar

Publications

2025

Williamson, Benjamin Albert Dobson; Eggestad, Kristoffer; Selbach, Sverre Magnus. (2025) Pseudo-lithium vacancies in hydrogen rich Li<inf>3</inf>OCl. Journal of Materials Chemistry A
Academic article
Gullbrekken, Øystein; Eggestad, Kristoffer; Tsoutsouva, Maria; Williamson, Benjamin Albert Dobson; Rettenwander, Daniel; Einarsrud, Mari-Ann. (2025) Phase Evolution and Thermodynamics of Cubic Li<inf>6.25</inf>Al<inf>0.25</inf>La<inf>3</inf>Zr<inf>2</inf>O<inf>12</inf> Studied by High-Temperature X-ray Diffraction. Inorganic Chemistry
Academic article
Løndal, Nora Statle; Williamson, Benjamin Albert Dobson; Grendal, Ola Gjønnes; Walker, Julian Bradley; Einarsrud, Mari-Ann; Grande, Tor. (2025) Crystal Structure, Cation Occupation, and Phase Transitions in Ba4(LixNa1-x)2Nb10O30 Tetragonal Tungsten Bronzes. Inorganic Chemistry
Academic article
Zeiger, Caren Regine; Eggestad, Kristoffer; Walker, Julian Bradley; Einarsrud, Mari-Ann; Williamson, Benjamin Albert Dobson; Grande, Tor. (2025) Quantifying Emptiness: On the Size of A-Site Vacancies in Tetragonal Tungsten Bronzes. Chemistry of Materials
Academic article

2024

Eggestad, Kristoffer; Selbach, Sverre Magnus; Williamson, Benjamin Albert Dobson. (2024) Doping implications of Li solid state electrolyte Li7La3Zr2O12. Journal of Materials Chemistry A
Academic article
Zeiger, Caren Regine; Williamson, Benjamin Albert Dobson; Walker, Julian Bradley; Einarsrud, Mari-Ann; Grande, Tor. (2024) On the solubility of Bi in tetragonal tungsten bronzes. Journal of the European Ceramic Society
Academic article
Løndal, Nora Statle; Williamson, Benjamin Albert Dobson; Walker, Julian Bradley; Einarsrud, Mari-Ann; Grande, Tor. (2024) The effect of cation size on structure and properties of Ba-based tetragonal tungsten bronzes Ba4M2Nb10O30 (M = Na, K or Rb) and Ba4M2Nb8Ti2O30 (M = Ca or Sr). Physical Chemistry, Chemical Physics - PCCP
Academic article
Eggestad, Kristoffer; Williamson, Benjamin Albert Dobson; Meier, Dennis; Selbach, Sverre Magnus. (2024) Mobile intrinsic point defects for conductive neutral domain walls in LiNbO3. Journal of Materials Chemistry C
Academic article

2023

Broberg, Danny; Bystrom, Kyle; Srivastava, Shivani; Dahliah, Diana; Williamson, Benjamin Albert Dobson; Weston, Leigh. (2023) High-throughput calculations of charged point defect properties with semi-local density functional theory—performance benchmarks for materials screening applications. npj Computational Materials
Academic article
Don, Christopher H.; Shalvey, Thomas P.; Smiles, Matthew J.; Thomas, Luke; Phillips, Laurie J.; Hobson, Theodore D.C.. (2023) Multi-Phase Sputtered TiO2-Induced Current–Voltage Distortion in Sb2Se3 Solar Cells. Advanced Materials Interfaces
Academic article
Danmo, Frida Hemstad; Williamson, Benjamin Albert Dobson; Småbråten, Didrik Rene; Gaukås, Nikolai Helth; Østli, Elise Ramleth; Grande, Tor. (2023) Oxygen Absorption in Nanocrystalline h-RMnO3 (R = Y, Ho, Dy) and the Effect of Ti Donor Doping. Chemistry of Materials
Academic article

2022

Kanas, Nikola; Williamson, Benjamin; Steinbach, Frank; Hinterding, Richard; Einarsrud, Mari-Ann; Selbach, Sverre Magnus. (2022) Tuning the Thermoelectric Performance of CaMnO<inf>3</inf>-Based Ceramics by Controlled Exsolution and Microstructuring. ACS Applied Energy Materials
Academic article
Jackson, Adam; Parrett, Benjamin; Willis, Joe; Ganose, Alex; Leung, Winnie; Liu, Yuhan. (2022) Computational Prediction and Experimental Realization of Earth-Abundant Transparent Conducting Oxide Ga-Doped ZnSb<inf>2</inf>O<inf>6</inf>. ACS Energy Letters
Academic article
Walker, Julian; Marshall, Kenneth Paul; Beceiro, Jorge Salgado; Williamson, Benjamin; Løndal, Nora Statle; Castro-Garcia, Socorro. (2022) Mesophase Transitions in [(C2H5)4N][FeBrCl3] and [(CH3)4N][FeBrCl3] Ferroic Plastic Crystals. Chemistry of Materials
Academic article
Limburn, Gregory; Davies, Daniel; Langridge, Neil; Malik, Zahida; Williamson, Benjamin; Scanlon, David. (2022) Investigation of factors affecting the stability of compounds formed by isovalent substitution in layered oxychalcogenides, leading to identification of Ba3Sc2O5Cu2Se2, Ba3Y2O5Cu2S2, Ba3Sc2O5Ag2Se2 and Ba3In2O5Ag2Se2. Journal of Materials Chemistry C
Academic article

2021

Spooner, Kieran; Ganose, Alex; Leung, Winnie; Buckeridge, John; Williamson, Benjamin; Palgrave, Robert. (2021) BaBi2O6: A Promising n-Type Thermoelectric Oxide with the PbSb2O6 Crystal Structure. Chemistry of Materials
Academic article
Fukumoto, Michitaka; Yasushi, Hirose; Williamson, Benjamin; Nakao, Shoichiro; Kimura, Koji; Hayashi, Koichi. (2021) Ligand Field-Induced Exotic Dopant for Infrared Transparent Electrode: W in Rutile SnO2. Advanced Functional Materials
Academic article
Hartley, Paul; Egdell, Russell G.; Zhang, Kelvin; Hohmann, Mareike; Piper, Louis; Morgan, David. (2021) Experimental and Theoretical Study of the Electronic Structures of Lanthanide Indium Perovskites LnInO3. Journal of Physical Chemistry C
Academic article

2020

Limburn, Gregory; Stephens, Matthew; Williamson, Benjamin; Iborra-Torres, Antonio; Scanlon, David; Hyett, Geoffrey. (2020) Photocatalytic, Structural and Optical Properties of Mixed Anion Solid solutions Ba3Sc2-xInxO5Cu2S2 and Ba3In2O5Cu2S2-ySey. Journal of Materials Chemistry A
Academic article

Journal publications

Williamson, Benjamin Albert Dobson; Eggestad, Kristoffer; Selbach, Sverre Magnus. (2025) Pseudo-lithium vacancies in hydrogen rich Li<inf>3</inf>OCl. Journal of Materials Chemistry A
Academic article
Gullbrekken, Øystein; Eggestad, Kristoffer; Tsoutsouva, Maria; Williamson, Benjamin Albert Dobson; Rettenwander, Daniel; Einarsrud, Mari-Ann. (2025) Phase Evolution and Thermodynamics of Cubic Li<inf>6.25</inf>Al<inf>0.25</inf>La<inf>3</inf>Zr<inf>2</inf>O<inf>12</inf> Studied by High-Temperature X-ray Diffraction. Inorganic Chemistry
Academic article
Løndal, Nora Statle; Williamson, Benjamin Albert Dobson; Grendal, Ola Gjønnes; Walker, Julian Bradley; Einarsrud, Mari-Ann; Grande, Tor. (2025) Crystal Structure, Cation Occupation, and Phase Transitions in Ba4(LixNa1-x)2Nb10O30 Tetragonal Tungsten Bronzes. Inorganic Chemistry
Academic article
Zeiger, Caren Regine; Eggestad, Kristoffer; Walker, Julian Bradley; Einarsrud, Mari-Ann; Williamson, Benjamin Albert Dobson; Grande, Tor. (2025) Quantifying Emptiness: On the Size of A-Site Vacancies in Tetragonal Tungsten Bronzes. Chemistry of Materials
Academic article
Eggestad, Kristoffer; Selbach, Sverre Magnus; Williamson, Benjamin Albert Dobson. (2024) Doping implications of Li solid state electrolyte Li7La3Zr2O12. Journal of Materials Chemistry A
Academic article
Zeiger, Caren Regine; Williamson, Benjamin Albert Dobson; Walker, Julian Bradley; Einarsrud, Mari-Ann; Grande, Tor. (2024) On the solubility of Bi in tetragonal tungsten bronzes. Journal of the European Ceramic Society
Academic article
Løndal, Nora Statle; Williamson, Benjamin Albert Dobson; Walker, Julian Bradley; Einarsrud, Mari-Ann; Grande, Tor. (2024) The effect of cation size on structure and properties of Ba-based tetragonal tungsten bronzes Ba4M2Nb10O30 (M = Na, K or Rb) and Ba4M2Nb8Ti2O30 (M = Ca or Sr). Physical Chemistry, Chemical Physics - PCCP
Academic article
Eggestad, Kristoffer; Williamson, Benjamin Albert Dobson; Meier, Dennis; Selbach, Sverre Magnus. (2024) Mobile intrinsic point defects for conductive neutral domain walls in LiNbO3. Journal of Materials Chemistry C
Academic article
Broberg, Danny; Bystrom, Kyle; Srivastava, Shivani; Dahliah, Diana; Williamson, Benjamin Albert Dobson; Weston, Leigh. (2023) High-throughput calculations of charged point defect properties with semi-local density functional theory—performance benchmarks for materials screening applications. npj Computational Materials
Academic article
Don, Christopher H.; Shalvey, Thomas P.; Smiles, Matthew J.; Thomas, Luke; Phillips, Laurie J.; Hobson, Theodore D.C.. (2023) Multi-Phase Sputtered TiO2-Induced Current–Voltage Distortion in Sb2Se3 Solar Cells. Advanced Materials Interfaces
Academic article
Danmo, Frida Hemstad; Williamson, Benjamin Albert Dobson; Småbråten, Didrik Rene; Gaukås, Nikolai Helth; Østli, Elise Ramleth; Grande, Tor. (2023) Oxygen Absorption in Nanocrystalline h-RMnO3 (R = Y, Ho, Dy) and the Effect of Ti Donor Doping. Chemistry of Materials
Academic article
Kanas, Nikola; Williamson, Benjamin; Steinbach, Frank; Hinterding, Richard; Einarsrud, Mari-Ann; Selbach, Sverre Magnus. (2022) Tuning the Thermoelectric Performance of CaMnO<inf>3</inf>-Based Ceramics by Controlled Exsolution and Microstructuring. ACS Applied Energy Materials
Academic article
Jackson, Adam; Parrett, Benjamin; Willis, Joe; Ganose, Alex; Leung, Winnie; Liu, Yuhan. (2022) Computational Prediction and Experimental Realization of Earth-Abundant Transparent Conducting Oxide Ga-Doped ZnSb<inf>2</inf>O<inf>6</inf>. ACS Energy Letters
Academic article
Walker, Julian; Marshall, Kenneth Paul; Beceiro, Jorge Salgado; Williamson, Benjamin; Løndal, Nora Statle; Castro-Garcia, Socorro. (2022) Mesophase Transitions in [(C2H5)4N][FeBrCl3] and [(CH3)4N][FeBrCl3] Ferroic Plastic Crystals. Chemistry of Materials
Academic article
Limburn, Gregory; Davies, Daniel; Langridge, Neil; Malik, Zahida; Williamson, Benjamin; Scanlon, David. (2022) Investigation of factors affecting the stability of compounds formed by isovalent substitution in layered oxychalcogenides, leading to identification of Ba3Sc2O5Cu2Se2, Ba3Y2O5Cu2S2, Ba3Sc2O5Ag2Se2 and Ba3In2O5Ag2Se2. Journal of Materials Chemistry C
Academic article
Spooner, Kieran; Ganose, Alex; Leung, Winnie; Buckeridge, John; Williamson, Benjamin; Palgrave, Robert. (2021) BaBi2O6: A Promising n-Type Thermoelectric Oxide with the PbSb2O6 Crystal Structure. Chemistry of Materials
Academic article
Fukumoto, Michitaka; Yasushi, Hirose; Williamson, Benjamin; Nakao, Shoichiro; Kimura, Koji; Hayashi, Koichi. (2021) Ligand Field-Induced Exotic Dopant for Infrared Transparent Electrode: W in Rutile SnO2. Advanced Functional Materials
Academic article
Hartley, Paul; Egdell, Russell G.; Zhang, Kelvin; Hohmann, Mareike; Piper, Louis; Morgan, David. (2021) Experimental and Theoretical Study of the Electronic Structures of Lanthanide Indium Perovskites LnInO3. Journal of Physical Chemistry C
Academic article
Limburn, Gregory; Stephens, Matthew; Williamson, Benjamin; Iborra-Torres, Antonio; Scanlon, David; Hyett, Geoffrey. (2020) Photocatalytic, Structural and Optical Properties of Mixed Anion Solid solutions Ba3Sc2-xInxO5Cu2S2 and Ba3In2O5Cu2S2-ySey. Journal of Materials Chemistry A
Academic article

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