Enhanced Electrocatalytic Activity in GaSe and InSe Nanosheets: The Role of Surface Oxides
Source abstract
Abstract
Abstract Gallium selenide (GaSe) is a van der Waals semiconductor widely used for optoelectronic devices, whose performances are dictated by bulk properties, including band‐gap energy. However, recent experimental observations that the exfoliation of GaSe into atomically thin layers enhances performances in electrochemistry and photocatalysis have opened new avenues for its applications in the fields of energy and catalysis. Here, it is demonstrated by surface‐science experiments and density functional theory (DFT) that the oxidation of GaSe into Ga2O3, driven by Se vacancies and edge sites created in the exfoliation process, plays a pivotal role in catalytic processes. Specifically, both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) are energetically unfavorable in pristine GaSe, due to energy barriers of 1.9 and 5.7–7.4 eV, respectively. On the contrary, energy barriers are reduced concurrently with surface oxidation. Especially, the Heyrovsky step (Hads + H+ + e− → H2) of HER becomes energetically favorable only in sub‐stoichiometric Ga2O2.97 (−0.3 eV/H+). It is also discovered that the same mechanisms occur for the case of the parental compound indium selenide (InSe), thus ensuring the validity of the model for the broad class of III‐VI layered semiconductors.
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Research context
OpenAlex topics: Chalcogenide Semiconductor Thin Films · 2D Materials and Applications · Quantum Dots Synthesis And Properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Physical and Chemical Sciences University of L'Aquila via Vetoio L'Aquila 67100 Italy
Consiglio Nazionale delle Ricerche (CNR)‐Istituto Officina dei Materiali (IOM) Laboratorio TASC in Area Science Park S.S. 14 km 163.5 Trieste 34149 Italy
Charles University V Holesovickaˇch 2, Prague 8 Prague 18000 Czechia
Elettra‐Sincrotrone S.C.p.A S.S. 14‐km 163.5 in AREA Science Park Trieste 34149 Italy
Department of Industrial and Information Engineering and Economics University of L'Aquila Via G. Gronchi 18, 7 L'Aquila I‐67100 Italy
Department of Physics Faculty of Sciences Atatürk University Erzurum 25240 Turkey
Basic Sciences Department Faculty of Sciences Erzurum Technical University Erzurum 25050 Turkey
CNR‐SPIN Uos L'Aquila Via Vetoio 10 L'Aquila I‐67100 Italy
College of Science Institute of Materials Physics and Chemistry Nanjing Forestry University Nanjing 210037 P. R. China
Theoretical Physics and Applied Mathematics Department Ural Federal University Mira Street 19 Ekaterinburg 620002 Russia
CNR‐IMM Istituto per la Microelettronica e Microsistemi VIII strada 5 Catania I‐95121 Italy
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