3 papers
cond-mat.mtrl-sci2026
Ferrocene-functionalized covalent organic framework exceeding the ultimate hydrogen storage targets: a first-principles multiscale computational study
Marcus Djokic, Jose L. Mendoza-Cortes
The development of efficient hydrogen storage materials is crucial for advancing the hydrogen economy and meeting the U.S. Department of Energy's targets of 6.5 wt% and 50 g H<sub>…
physics.app-ph2023
Transforming Materials Discovery for Artificial Photosynthesis: High-Throughput Screening of Earth-Abundant Semiconductors
Sean M. Stafford, Alexander Aduenko, Marcus Djokic +2
We present a highly efficient workflow for designing semiconductor structures with specific physical properties, which can be utilized for a range of applications, including photoc…
physics.chem-ph2023
MultiBinding Sites United in Covalent-Organic Frameworks (MSUCOF) for H Storage and Delivery at Room Temperature
Marcus Djokic, Jose L. Mendoza-Cortes
The storage of hydrogen gas (H) has presented a significant challenge that has hindered its use as a fuel source for transportation. To meet the Department of Energy's ambitiou…