Dr. Dalaver Anjum

Advanced materials characterization and computational physics methods are essential for the development of new materials. This project brings together experimental and computational physics to address the chemistry of low-dimensional materials. The specific examples of such low-dimensional materials will include hybrid materials synthesized by combining 0-dimensional nanomaterials with 2-dimensional layer materials (e.g. 2-dimensional MoS2 coated onto 0-dimensional Ferrite). This project explores ways to tailor the electronic and gas-sensing properties of hybrid materials. The relationships between the properties and synthesis parameters of these materials are established by performing their atom scale structural and elemental characterization with advanced techniques of transmission electron microscopy (STEM). The acquired results are supported by using computational physics techniques such as density functional theory (DFT) methods. 

Young’s moduli (Ym) of metals and metal alloys is a fundamental property for determining their strength and hardness. It is already known that in metal alloys, the values of Ym vary significantly in the vicinity of structural defects and precipitates as compared to metal matrix. The size of structural defects and precipitates is usually in the nanoscale lengths which means that Ym should also be mapped in the same range of length scales. The goal of this is to apply Scanning transmission electron microscopy (STEM) for the imaging of these structural defects and precipitates. Moreover, utilize STEM to generate Ym maps for metal alloys in the same length scales by carrying out the imaging of alloys in combination with the electron energy loss spectroscopy (EELS) technique. In this way, a nanoscale structure-property correlation (i.e. the effect of defects and precipitates on Ym) will be established for metals by using STEM-EELS techniques. 

Single-atom catalysts have unquestionably become the most vigorous frontier in contemporary catalysis. Assisted by recent advances in practical synthetic methodologies, characterization techniques, and computational physics, there are a large number of single-atom catalysts (SACs) that exhibit distinctive performances for a wide variety of chemical reactions. In this project, our focus will be to address the fundamental physical limitation on the catalysis ability of single atoms of different metals. This is executed with the development of mixed metal single atoms on various surfaces of interest. Comprehensive characterization of the mixed metal single atoms on the support surface will be carried out to understand their surface interactions. Also, detailed theoretical studies will be carried out to understand their intriguing properties. Finally, a range of applications such as clean energy harvesting will be carried out.