DataVXAdvanced Functional MaterialsPaper
journal article·2024-12Open access

Bi Off‐Centering in Centrosymmetric BiOBr Leading to Ultrahigh Bifunctional Piezocatalytic Fuel Generation Efficiencies in Seawater

Maqsuma Banoo, Kushal Samanta, Arjun Kumar Sah, Raj Sekhar Roy, Monika Bhakar, Dirtha Sanyal, Digamber G. Porob, Konstantin Glazyrin, Dinesh Topwal, Goutam Sheet, Dibyajyoti Ghosh, Ujjal K. Gautam

Advanced Functional Materials· Volume 34· Issue 49
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Source abstract

Abstract

Abstract Piezocatalytic water‐splitting to simultaneously produce H2 and H2O2 has many potential advantages. However, the necessity to utilize materials having polar structures limits the choice of piezocatalysts. Herein, it is demonstrated that centrosymmetric BiOBr with oxygen defects can simultaneously produce H2 and H2O2 with ultrahigh efficiencies from pure and seawater without needing assistance from noble metals or scavengers. High‐pressure studies confirm that there are no non‐polar‐to‐polar phase transitions in BiOBr, though a novel isostructural phase is discovered. Computational studies reveal that oxygen vacancy distorts the BiOBr structure to induce charge‐localization and polarization. Furthermore, high pressure (i) reduces carrier effective masses and (ii) increases relative O‐2p contribution in the valence band maximum to assist catalysis and improve stability. The role of oxygen vacancy is confirmed by changing its concentration, which proportionally affects H2 evolution. The work paves the way for defect engineering to develop piezocatalysts from a large pool of non‐polar materials.
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Research context

Catalysis & surfaces

OpenAlex topics: Catalytic Processes in Materials Science · Advanced Photocatalysis Techniques · Covalent Organic Framework Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Chemical Sciences Indian Institute of Science Education and Research (IISER)‐Mohali Sector 81, S.A.S. Nagar Mohali Punjab 140306 India

Department of Materials Science and Engineering Indian Institute of Technology Delhi Hauz Khas New Delhi 110016 India

Department of Physical Sciences Indian Institute of Science Education and Research (IISER)‐Mohali Sector 81, S.A.S. Nagar Mohali Punjab 140306 India

Homi Bhabha National Institute Anushakti Nagar Mumbai 400094 India

Variable Energy Cyclotron Centre 1/AF Bidhannagar Kolkata 700064 India

School of Chemical Sciences Goa University Taleigao Plateau Goa 403206 India

Deutsches Elektronen‐Synchrotron DESY Notkestr. 85 22607 Hamburg Germany

Institute of Physics Sachivalaya Marg Bhubaneswar 751005 India

Training School Complex Homi Bhabha National Institute Mumbai 400094 India

Funding

Science and Engineering Research Board · Department of Science and Technology, Ministry of Science and Technology, India

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