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Authors = Hermawan K. Dipojono

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16 pages, 3270 KiB  
Review
Recent Development of Nickel-Rich and Cobalt-Free Cathode Materials for Lithium-Ion Batteries
by Lukman Noerochim, Suwarno Suwarno, Nurul Hayati Idris and Hermawan K. Dipojono
Batteries 2021, 7(4), 84; https://doi.org/10.3390/batteries7040084 - 10 Dec 2021
Cited by 43 | Viewed by 11492
Abstract
The exponential growth in the production of electric vehicles requires an increasing supply of low-cost, high-performance lithium-ion batteries. The increased production of lithium-ion batteries raises concerns over the availability of raw materials, especially cobalt for batteries with nickel-rich cathodes, in which these constraints [...] Read more.
The exponential growth in the production of electric vehicles requires an increasing supply of low-cost, high-performance lithium-ion batteries. The increased production of lithium-ion batteries raises concerns over the availability of raw materials, especially cobalt for batteries with nickel-rich cathodes, in which these constraints can impact the high price of cobalt. The reliance on cobalt in these cathodes is worrisome because it is a high-cost, rare material, with an unstable supply chain. This review describes the need and feasibility of developing cobalt-free high-nickel cathode materials for lithium-ion batteries. The new type of cathode material, LiNi1−x−yMnxAlyO2 promises a completely cobalt-free composition with almost the same electrochemical performance as that of the conventional high-nickel cathode. Therefore, this new type of cathode needs further research for its commercial applications. Full article
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15 pages, 1222 KiB  
Article
A Density-Functional Study of the Conformational Preference of Acetylcholine in the Neutral Hydrolysis
by Rizka N. Fadilla, Febdian Rusydi, Nufida D. Aisyah, Vera Khoirunisa, Hermawan K. Dipojono, Faozan Ahmad, Mudasir Mudasir and Ira Puspitasari
Molecules 2020, 25(3), 670; https://doi.org/10.3390/molecules25030670 - 5 Feb 2020
Cited by 8 | Viewed by 4375
Abstract
Acetylcholine, which is associated with Alzheimer’s disease, is widely known to have conformers. The preference of each conformer to undergo neutral hydrolysis is yet to be considered. In this study, we employed density-functional calculations to build the conformers and investigated their preference in [...] Read more.
Acetylcholine, which is associated with Alzheimer’s disease, is widely known to have conformers. The preference of each conformer to undergo neutral hydrolysis is yet to be considered. In this study, we employed density-functional calculations to build the conformers and investigated their preference in one-step neutral hydrolysis. The results showed the preference in ten possible hydrolysis pathways involving seven acetylcholine conformers (reactant), four transition state structures, and two choline conformers (product). Three out of the seven acetylcholine conformers predicted from the results confirmed experimental findings on the conformers stability. We suggested that two out of ten possible pathways were observed in the experimental results based on agreement in reaction energy. Eventually, this study will emphasize the importance of considering acetylcholine conformers in its hydrolysis study. Full article
(This article belongs to the Section Computational and Theoretical Chemistry)
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