Al Maksoud, Walid and Bacha, Raza Ullah Shah and Pixius, Jan-Malte and Viswanathan, M. and Vaishnav, Yuvraj and Rai, Rohit K. and Hedhili, Mohamed N. and Wang, Qingxiao and Kobayashi, Yoji (2024) Silicon Clathrate-Supported Catalysts with Low Work Functions for Ammonia Synthesis. ADVANCED MATERIALS, 36 (51). ISSN 0935-9648, 1521-4095
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Diamond-type silicon has a work function of approximate to 4.8 eV, and conventional n- or p-type doping modifies the value only between 4.6 and 5.05 eV. Here, it is shown that the alkali clathrates AxSi46 have substantially lower work functions approaching 2.6 eV, with clear trends between alkali electropositivity and clathrate cage size. The low work function enables alkali clathrates such as K8Si46 to be effective Haber-Bosch catalyst supports for NH3 synthesis. The catalytic properties of Si, Ge, and Sn-based clathrates are investigated while supporting Fe and Ru on the surface. The activity largely scales with the work function, and low activation energies below 60 kJ mol-1 are observed due to strong electron donation effects from the support. Ru metal and Sn clathrates seem to be unsuitable for stability issues. Compared to other similar hydride/electride catalysts, the simple structure and composition combined with stability in air/water make a systematic study of these clathrates possible and open the door to other electron-rich Zintl phases and related intermetallics as low-work function materials suitable for catalysis. The observed low work function may also have implications for other existing electronic applications. Diamond-type Si has a high work function, but here it is shown how this can be drastically lowered in its alkali clathrate form K7.5Si46. These group 14 clathrates are previously examined for thermoelectric and photovoltaic properties, but the low work function enables it to function as an effective catalyst support for ammonia synthesis, thus expanding material applications. image
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ammonia synthesis; clathrates; Haber-Bosch process; silicides; work functions; Zintl phases |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Prof. Dr. Nikolaus Korber |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 30 Oct 2025 06:32 |
| Last Modified: | 30 Oct 2025 06:32 |
| URI: | https://pred.uni-regensburg.de/id/eprint/65163 |
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