The extensive search for cation substitution in lithium-ion batteries


Powering everything from smartphones to electric cars, lithium-ion batteries (LIBs) have evolved markedly with advances in technology and revolutionized our world. The next step in the progress of technology is developing even better batteries to power electronic devices for longer durations. One promising technique for increasing battery performance involves the atomic substitution of positively charged ions, or ‘cations’, in the cathode material. However, doing so systematically for different substituent cations to determine the ideal ones experimentally is complex and expensive, leaving us with simulations as the only viable option for narrowing down the choices.





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