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UID:event-34@tuemeche.nl
DTSTAMP:20261008T003020Z
DTSTART;TZID=Europe/Amsterdam:20261005T133000
DTEND;TZID=Europe/Amsterdam:20261005T150000
SUMMARY:A Comprehensive Investigation into the Structural Modification of
  Carbon-based Materials for Hydrogen Storage Applications
DESCRIPTION:Speaker: Shima Rezaie\nHost: Azahara Luna Triguero\n\nEnergy 
 has played a critical role in the industrial and societal development of 
 humanity. Historically\, fossil fuels\, namely coal\, oil\, and natural g
 as\, have dominated the global energy supply. According to the Internatio
 nal Energy Agency (IEA)\, these valuable resources account for approximat
 ely 81% of primary energy consumption as of 2023. However\, this heavy de
 pendence has resulted in severe environmental consequences\, negative hea
 lth effects\, and the rapid depletion of natural resources. With the cont
 inued growth of the global population and industrial activity\, energy de
 mand is expected to rise further. These challenges highlight the urgent n
 eed to transition toward a more sustainable energy system centered on gre
 en energy sources. Achieving this transition requires the comprehensive u
 tilization of all available renewable energy resources and green energy c
 arriers to ensure a reliable and sufficient energy supply.\nIn this conte
 xt\, hydrogen can be considered as one of the potential green energy sour
 ces. Hydrogen is widely recognized as a promising green energy carrier du
 e to its high gravimetric energy density  (143 MJ/kg) and zero-emission c
 ombustion\, which produces only water vapor and heat. It enables efficien
 t storage of thermal and electrical energy with minimal losses\, offering
  a viable solution for balancing energy supply during periods when renewa
 ble sources like solar power are less effective. Despite its advantages\,
  a major obstacle to the widespread use of hydrogen is the challenge of d
 eveloping safe and cost-effective storage solutions. Its low molecular we
 ight and high flammability\, coupled with a very low density at ambient c
 onditions (0.0824 kg/m³ compared to 1.184 kg/m³ for air)\, result in po
 or volumetric energy density. Addressing these issues requires the develo
 pment of storage technologies that improve both gravimetric and volumetri
 c energy densities while operating under practical conditions.\nVarious h
 ydrogen storage methods have been proposed\, including compressed gas\, l
 iquid hydrogen\, underground storage\, ammonia-based solutions\, and liqu
 id organic hydrogen carriers (LOHCs). However\, none of these methods are
  fully satisfactory or cost-effective\, primarily due to the high energy 
 demands\, challenging storage conditions\, geographic constraints\, and t
 he production of harmful by-products during hydrogen release. In response
 \, physical adsorption on porous materials has emerged as a promising sol
 ution\, offering high storage densities at lower pressures and temperatur
 es. The U.S. Department of Energy (DOE) aims to achieve hydrogen–nanost
 ructure binding energies between -0.15 and -0.6 eV\, with gravimetric den
 sities exceeding 5.5 wt% by 2025 and reaching an ultimate target of 6.5 w
 t%\, along with a volumetric capacity goal of 50 g H₂/L for efficient h
 ydrogen storage. \nAmong the vast number of available nanostructures\, wh
 ich ones have the potential to be effectively used for achieving this goa
 l? How can the hydrogen storage capacity of existing nanostructures be en
 hanced through targeted modifications? Answering these question is the ke
 y scientific objective driving the present PhD project.\nIn the present p
 roject\, fundamental work was conducted on improving the hydrogen storage
  capacity of various nanostructures. A particular focus was placed on car
 bon-based nanostructures as representative candidates for hydrogen storag
 e applications. Both pristine and chemically or structurally modified for
 ms of these nanostructures were studied in detail to assess their suitabi
 lity. Special attention was given to understanding the mechanisms and eff
 ects of hydrogen adsorption on these materials\, in both their unmodified
  and modified states. Rational multi-step strategies are proposed to syst
 ematically assess modified structures-based on the nature of the modifica
 tion (interstitial or substitution)- by defining assessment parameters\, 
 boundaries\, and final performance evaluation\, with the goal of developi
 ng a comprehensive\, transferable\, and practically applicable framework 
 for evaluating a broad range of potential nanostructures. Through this de
 tailed analysis\, several promising nanostructures were identified that d
 emonstrate potential for further development toward real-world applicatio
 ns. Moreover\, successful collaboration was undertaken on the modificatio
 n of a newly synthesized material for hydrogen storage applications. The 
 entire investigation was carried out using Density Functional Theory (DFT
 )- based computational methods\, which enabled a thorough and fundamental
  exploration of the electronic\, structural\, and energetic properties of
  the materials.
LOCATION:Atlas 0.710
URL:https://tuemeche.nl/peoplepages/event.php?id=34
CATEGORIES:PhD Defense
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