Browsing by Author "Shibl, Mohamed F."
Now showing items 1-11 of 11
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Electrocatalytic CO oxidation on porous ternary PdNiO-CeO2/carbon black nanocatalysts: Effect of supports and electrolytes
Adewale K., Ipadeola; Haruna, Aderemi B.; Abdullah, Aboubakr M.; Shibl, Mohamed F.; Ahmadaliev, Doniyorbek; Ozoemena, Kenneth I.; Eid, Kamel... more authors ... less authors ( Elsevier , 2023 , Article)The catalytic activity and durability of porous ternary Pd-based electrocatalysts are augmented by alloying with other metals and using supports, however, the effect of supports and electrolytes at varied pH on the ... -
Highly exfoliated Ti3C2T: XMXene nanosheets atomically doped with Cu for efficient electrochemical CO2reduction: An experimental and theoretical study
Eid, Kamel; Lu, Qingqing; Abdel-Azeim, Safwat; Soliman, Ahmed; Abdullah, Aboubakr M.; Abdelgwad, Ahmed M.; Forbes, Roy P.; Ozoemena, Kenneth I.; Varma, Rajender S.; Shibl, Mohamed F.... more authors ... less authors ( Royal Society of Chemistry , 2022 , Article)Ti3C2Tx MXene nanostructures have garnered attention for various catalytic applications due to their built-in electronic properties. Herein, we rationally design highly exfoliated two-dimensional Ti3C2Tx nanosheets (Tx = ... -
Hydrogen bond coupling in sodium dihydrogen triacetate
Ahmed, Ashour A.; Hilal, Rifaat H.; Shibl, Mohamed F. ( Springer Verlag , 2014 , Article)The coupling of hydrogen bonds is central to structures and functions of biological systems. Hydrogen bond coupling in sodium dihydrogen triacetate (SDHTA) is investigated as a model for the hydrogen bonded systems of the ... -
Multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) approach to the correlated exciton-vibrational dynamics in the FMO complex
Schulze, Jan; Shibl, Mohamed F.; Al-Marri, Mohammed J.; Kuhn, Oliver ( American Institute of Physics Inc. , 2016 , Article)The coupled quantum dynamics of excitonic and vibrational degrees of freedom is investigated for high-dimensional models of the Fenna-Matthews-Olson complex. This includes a seven- and an eight-site model with 518 and 592 ... -
Multilayer-MCTDH approach to the energy transfer dynamics in the LH2 antenna complex
Shibl, Mohamed F.; Schulze, Jan; Al-Marri, Mohammed J.; Kühn, Oliver ( Institute of Physics Publishing , 2017 , Article)The multilayer multiconfiguration time-dependent Hartree method is used to study the coupled exciton–vibrational dynamics in a high-dimensional nonameric model of the LH2 antenna complex of purple bacteria. The exciton–vibrational ... -
Pyrolytic elimination of ethylene from ethoxyquinolines and ethoxyisoquinolines: a computational study
Abdel-Rahman, Mohamed A.; Shibl, Mohamed F.; Mahmoud, Mohamed A. M. ( Nature Research , 2023 , Article)This work reports a thermo-kinetic study on unimolecular thermal decomposition of some ethoxyquinolines and ethoxyisoquinolines derivatives (1-ethoxyisoquinoline (1-EisoQ), 2-ethoxyquinoline (2-EQ), 3-ethoxyquinoline (3-EQ), ... -
Reprint of “The effect of site-specific spectral densities on the high-dimensional exciton-vibrational dynamics in the FMO complex”
Schulze, J.; Schulze, Jan; Shibl, Mohamed F.; Al-Marri, Mohammed J.; Kühn, Oliver ( Elsevier B.V. , 2018 , Article)© 2017 Elsevier B.V. The coupled exciton-vibrational dynamics of a three-site model of the FMO complex is investigated using the Multi-layer Multi-configuration Time-dependent Hartree (ML-MCTDH) approach. Emphasis is put ... -
TDDFT Investigation of the hybrid organic inorganic perovskite: CH 3 NH 3 PbC 3
Alwarappan, Ganesh; Padmanabachary, Aashik; Alam, Md Raiyan; Bhandari, Aashka; Patil, Sunil; R., Jeyakumar; Shibl, Mohamed F.; Hassan , Walid M.I.; Nekovei, Reza; Verma , Amit... more authors ... less authors ( Institute of Electrical and Electronics Engineers Inc. , 2019 , Conference Paper)Hybrid organic-inorganic metal perovskites (chemical formula: ABX3, A-organic cation, B-metal ion, X-halide) are the latest advancement for increasing efficiency in thin-film solar cells or Dye Solar Cells (DSC). They have ... -
TDDFT Studies on sheet size-dependency of optoelectronic properties of 2d silicon
Alam, MD Raiyan; Alwarappan, Ganesh; Bhandari, Aashka; Patil, Sunil; Alfalah, Sherin; Shibl, Mohamed F.; Hassan, Walid M.I.; Nekovci, Reza; Verma, Amit... more authors ... less authors ( Institute of Electrical and Electronics Engineers Inc. , 2019 , Conference Paper)Silicene, a two-dimensional (2D) silicon nanosheet, has gained immense interest due to potential applications, better compatibility, and expected integration with current silicon (Si) technology. This work explores the ... -
The effect of site-specific spectral densities on the high-dimensional exciton-vibrational dynamics in the FMO complex
Schulze, Jan; Shibl, Mohamed F.; Al-Marri, Mohammed J.; Kühn, Oliver ( Elsevier B.V. , 2017 , Article)The coupled exciton-vibrational dynamics of a three-site model of the FMO complex is investigated using the Multi-layer Multi-configuration Time-dependent Hartree (ML-MCTDH) approach. Emphasis is put on the effect of the ... -
Vanadium Carbide (V4C3) MXene as an Efficient Anode for Li-Ion and Na-Ion Batteries
Peng, Qiong; Rehman, Javed; Eid, Kamel; Alofi, Ayman S.; Laref, Amel; Albaqami, Munirah D.; Alotabi, Reham G.; Shibl, Mohamed F.... more authors ... less authors ( MDPI , 2022 , Article)Li-ion batteries (LIBs) and Na-ion batteries (SIBs) are deemed green and efficient electrochemical energy storage and generation devices; meanwhile, acquiring a competent anode remains a serious challenge. Herein, the ...