Hansinee Sitinamaluwa

Deformation and failure mechanisms of electrochemically lithiated silicon thin films

A fundamental understanding of mechanical behavior of a Li–Si system is necessary to address the poor mechanical integrity of amorphous silicon (a-Si) electrodes, in order to utilize their enormous capacity in Li-ion batteries. In this work, deformation and failure mechanisms of electrochemically lithiated a-Si thin films were investigated using nanoindentation and molecular dynamics simulation techniques. The cracking observed in the a-Si thin films after the initial lithiation–delithiation cycle is associated with the tension stress developed when constrained by the substrates. The MD simulations provide an atomistic insight on the origin of plasticity and transition of fracture mechanisms with increasing lithium concentration in the electrode. Both experiment and the MD simulations indicate reduced strength, elastic modulus but increased ductility in the a-Si films after the full lithiation–delithiation cycle, as a result of increased disorder in the microstructures. Also, the mapping of void nucleation and growth indicates different failure modes in pristine and delithiated a-Si.

Lithium concentration dependent structure and mechanics of amorphous silicon

A better understanding of lithium-silicon alloying mechanisms and associated mechanical behavior is essential for the design of Si-based electrodes for Li-ion batteries. Unfortunately, the relationship between the dynamic mechanical response and microstructure evolution during lithiation and delithiation has not been well understood. We use molecular dynamic simulations to investigate lithiated amorphous silicon with a focus to the evolution of its microstructure, phase composition, and stress generation. The results show that the formation of LixSi alloy phase is via different mechanisms, depending on Li concentration. In these alloy phases, the increase in Li concentration results in reduction of modulus of elasticity and fracture strength but increase in ductility in tension. For a LixSi system with uniform Li distribution, volume change induced stress is well below the fracture strength in tension.

Cu nanoparticles supported on graphitic carbon nitride as an efficient electrocatalyst for oxygen reduction reaction

High active and cost-effective electrocatalysts for the oxygen reduction reaction (ORR) are essential components of renewable energy technologies, such as fuel cells and metal/air batteries. Herein, we propose that ORR active Cu/graphitic carbon nitride (Cu/g-CN) electrocatalyst can be prepared via a facile hydrothermal reaction in the present of the ionic liquid (IL) bis(1-hexadecyl-3-methylimid- azolium) tetrachlorocuprate[(C 16 mim) 2 CuCl 4 ] and protonated g-CN. The as-prepared Cu/g-CN showed an impressive ORR catalytic activity that a 99 mV positive shift of the onset potential and 2 times kinetic current density can be clearly observed, comparing with the pure g-CN. In addition, the Cu/g-CN revealed better stability and methanol tolerance than commercial Pt/C (HiSPECTM 3000, 20%). Therefore, the proposed Cu/g-CN, as the inexpensive and efficient ORR electrocatalyst, would be a potential candidate for application in fuel cells.