Devis Di Tommaso

United Kingdom

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Articles (20)

Year:

2025

DFT predicts stable boron arsenide-Janus monolayer heterostructures with tunable bandgaps, high light absorption, and good carrier mobility, making them ideal for photocatalytic water splitting.

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2024

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2024

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2024

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2024

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2024

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2024

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2024

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2024

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2023

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2023

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2023

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2023

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2022

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2022

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2022

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2022

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2022

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2022

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2021

Collaborators (9)

Kun V Tian

Sapienza University of Rome

ITALY

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Gregory Chass

Reader in Physical and Computational Chemistry (2011-present)

Queen Mary University of London

UNITED KINGDOM

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Takeharu Yoshii

Assistant Professor

Tohoku University

JAPAN

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Takashi Kyotani

Tohoku University

JAPAN

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Rachel Crespo Otero

Associate Professor

University College London

UNITED KINGDOM

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Masanori Yamamoto

Tohoku University

JAPAN

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Stoichko Dimitrov

Lecturer

Queen Mary University of London

UNITED KINGDOM

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Matteo Palma

Professor of Physical Chemistry and Nanomaterials

Queen Mary University of London

UNITED KINGDOM

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Ana Jorge Sobrido

UNITED KINGDOM

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Devis Di Tommaso

Research Interests

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Articles (20)

Selective photocatalytic glucaric acid production from TEMPO-mediated glucose oxidation on alkalized carbon nitride

Enhanced photocatalytic water splitting with two-dimensional van der Waals heterostructures of BAs/WTeSe

A thermodynamically favorable route to the synthesis of nanoporous graphene templated on CaO via chemical vapor deposition

Copper Nanowires for Electrochemical CO2 Reduction Reaction

Unveiling Carbon Cluster Coating in Graphene CVD on MgO: Combining Machine Learning Force field and DFT Modeling

Computational screening of metalloporphyrin catalysts for the activation of carbon dioxide

Solar-Driven Cellulose Photorefining into Arabinose over Oxygen-Doped Carbon Nitride

Enhanced photocatalytic water splitting with two-dimensional van der Waals heterostructures of BAs/WTeSe

Molecular graph transformer: stepping beyond ALIGNN into long-range interactions

Single-Atom Iridium on Hematite Photoanodes for Solar Water Splitting: Catalyst or Spectator?

Adsorption, activation, and conversion of carbon dioxide on small copper–tin nanoclusters

The thermodynamic and mechanical properties of Earth-abundant metal ternary boride Mo2(Fe,Mn)B2 solid solutions for impact- and wear-resistant alloys

Molecular Insights into the Stability of Titanium in Electrolytes Containing Chlorine and Fluorine Ions

Porous nanographene formation on γ-alumina nanoparticles via transition-metal-free methane activation

Resolving nanoscopic structuring and interfacial THz dynamics in setting cements

Optimal Icosahedral Copper-Based Bimetallic Clusters for the Selective Electrocatalytic CO2 Conversion to One Carbon Products

Ab initio random structure searching and catalytic properties of copper-based nanocluster with Earth-abundant metals for the electrocatalytic CO2-to-CO conversion

A Database of Solution Additives Promoting Mg2+ Dehydration and the Onset of MgCO3 Nucleation

Bridging atomistic simulations and thermodynamic hydration models of aqueous electrolyte solutions

Sulfate and Molybdate Incorporation at the Calcite–Water Interface: Insights from Ab Initio Molecular Dynamics

Collaborators (9)

Kun V Tian

Gregory Chass

Takeharu Yoshii

Takashi Kyotani

Rachel Crespo Otero

Masanori Yamamoto

Stoichko Dimitrov

Matteo Palma

Ana Jorge Sobrido

Make your next move.