Now showing items 1-20 of 27

    • Wet chemical surface functionalization of oxide-free silicon 

      Thissen, Peter; Seitz, Oliver; Chabal, Yves J. (Elsevier Limited, 2012-09-13)
      Silicon is by far the most important semiconductor material in the microelectronic industry mostly due to the high quality of the Si/SiO2 interface. Consequently, applications requiring chemical functionalization of Si ...
    • Energy Transfer from Colloidal Nanocrystals into Si Substrates Studied via Photoluminescence Photon Counts and Decay Kinetics 

      Nguyen, H. M.; Seitz, Oliver; Gartstein, Yuri N.; Chabal, Yves J.; Malko, Anton V. (2013-08-16)
      We use time-resolved photoluminescence (PL) kinetics and PL intensity measurements to study the decay of photoexcitations in colloidal CdSe/ZnS nanocrystals grafted on SiO₂ - Si substrates with a wide range of the SiO₂ ...
    • Selectivity of Metal Oxide Atomic Layer Deposition on Hydrogen Terminated and Oxidized Si(001)-(2x1) Surface 

      Longo, Roberto C.; McDonnell, Stephen; Dick, D.; Wallace, Robert M.; Chabal, Yves J.; Owen, James H. G.; Ballard, Josh B.; Randall, John N.; Cho, Kyeongjae (A V S Amer Inst Physics, 2014-02-10)
      In this work, the authors used density-functional theory methods and x-ray photoelectron spectroscopy to study the chemical composition and growth rate of HfO₂, Al₂O₃, and TiO₂ thin films grown by in-situ atomic layer ...
    • Influence of Growth Temperature on Bulk and Surface Defects in Hybrid Lead Halide Perovskite Films 

      Peng, Weina; Anand, Benoy; Liu, Lihong; Sampat, Siddharth; Bearden, Brandon E.; Malko, Anton V.; Chabal, Yves J. (Royal Society of Chemistry, 2015-12-14)
      The rapid development of perovskite solar cells has focused its attention on defects in perovskites, which are gradually realized to strongly control the device performance. A fundamental understanding is therefore needed ...
    • Interaction of Acid Gases SO₂ and NO₂ with Coordinatively Unsaturated Metal Organic Frameworks: M-MOF-74 (M = Zn, Mg, Ni, Co) 

      Tan, Kui; Zuluaga, Sebastian; Wang, Hao; Canepa, Pieremanuele; Soliman, Karim; Cure, Jeremy; Li, Jing; Thonhauser, Timo; Chabal, Yves J. (Amer Chemical Soc, 2017-05-01)
      In situ infrared spectroscopy and ab initio density functional theory (DFT) calculations are combined to study the interaction of the corrosive gases SO₂ and NO₂ with metal organic frameworks M-MOF-74 (M = Zn, Mg, Ni, Co). ...
    • Nucleation and Growth of WSe₂: Enabling Large Grain Transition Metal Dichalcogenides 

      Yue, Ruoyu; Nie, Yifan; Walsh, Lee A.; Addou, Rafik; Liang, Chaoping; Lu, Ning; Barton, Adam T.; Zhu, Hui; Che, Zifan; Barrera, Diego; Cheng, Lanxia; Cha, Pil-Ryung; Chabal, Yves J.; Hsu, Julia W. P.; Kim, Jiyoung; Kim, Moon J.; Colombo, Luigi; Wallace, Robert M.; Cho, Kyeongjae; Hinkle, Christopher L. (IOP Publishing Ltd, 2017-09-22)
      The limited grain size (< 200 nm) for transition metal dichalcogenides (TMDs) grown by molecular beam epitaxy (MBE) reported in the literature thus far is unsuitable for high-performance device applications. In this work, ...
    • Understanding and Controlling Water Stability of MOF-74 

      Zuluaga, S.; Fuentes-Fernandez, Erika M. A.; Tan, Kui; Xu, F.; Li, J.; Chabal, Yves J.; Thonhauser, T. (Royal Society of Chemistry, 2018-06-01)
      Metal organic framework (MOF) materials in general, and MOF-74 in particular, have promising properties for many technologically important processes. However, their instability under humid conditions severely restricts ...
    • Energy Transfer from Colloidal Nanocrystals to Strongly Absorbing Perovskites 

      Cabrera, Yasiel; Rupich, Sara M.; Shaw, Ryan; Anand, Benoy; Villa, Manuel de Anda; Rahman, Rezwanur; Dangerfield, Aaron; Gartstein, Yuri N.; Malko, Anton V.; Chabal, Yves J. (Royal Society of Chemistry, 2018-06-01)
      Integration of colloidal nanocrystal quantum dots (NQDs) with strongly absorbing semiconductors offers the possibility of developing optoelectronic and photonic devices with new functionalities. We examine the process of ...
    • Substrate Selectivity in the Low Temperature Atomic Layer Deposition of Cobalt Metal Films from Bis(1,4-Di- Tert -Butyl-1,3-Diazadienyl)Cobalt and Formic Acid 

      Kerrigan, M. M.; Klesko, Joseph P.; Rupich, Sara M.; Dezelah, C. L.; Kanjolia, R. K.; Chabal, Yves. J.; Winter, C. H. (American Institute of Physics Inc, 2018-08-20)
      The initial stages of cobalt metal growth by atomic layer deposition are described using the precursors bis(1,4-di-tert-butyl-1,3-diazadienyl)cobalt and formic acid. Ruthenium, platinum, copper, Si(100), Si-H, SiO₂, and ...
    • Diffusion of Small Molecules in Metal Organic Framework Materials 

      Canepa, Pieremanuele; Nijem, Nour; Chabal, Yves J.; Thonhauser, T.
      Ab initio simulations are combined with in situ infrared spectroscopy to unveil the molecular transport of H-2, CO2, and H2O in the metal organic framework MOF-74-Mg. Our study uncovers-at the atomistic level-the major ...
    • Water Interactions In Metal Organic Frameworks 

      Tan, Kui; Nijem, Nour; Gao, Yuzhi; Zuluaga, S.; Li, J.; Thonhauser, T.; Chabal, Yves J.
      Metal organic frameworks (MOFs) have a strong potential for gas adsorption and separation such as H2 and CH4 storage, and CO2 capture. However, their instability in the presence of water vapor (many MOFs are hygroscopic) ...
    • Structural Band-Gap Tuning in g-C₃N₄ 

      Zuluaga, S.; Liu, Li-Hong; Shafiq, Natis; Rupich, Sara M.; Veyan, Jean-François; Chabal, Yves J.; Thonhauser, T.
      g-C₃N₄ is a promising material for hydrogen production from water via photo-catalysis, if we can tune its band gap to desirable levels. Using a combined experimental and ab initio approach, we uncover an almost perfectly ...
    • Structural, Elastic, Thermal, and Electronic Responses of Small-Molecule-Loaded Metal-Organic Framework Materials 

      Canepa, Pieremanuele; Tan, Kui; Du, Yingjie; Lu, Hongbing; Chabal, Yves J.; Thonhauser, Timo
      We combine infrared spectroscopy, nano-indentation measurements, and ab initio simulations to study the evolution of structural, elastic, thermal, and electronic responses of the metal-organic framework MOF-74-Zn when ...
    • Structural Band-Gap Tuning in g-C₃N₄ 

      Zuluaga, S.; Liu, Li-Hong; Shafiq, Natis; Rupich, Sara M.; Veyan, Jean-François; Chabal, Yves J.; Thonhauser, T.
      g-C3N4 is a promising material for hydrogen production from water via photo-catalysis, if we can tune its band gap to desirable levels. Using a combined experimental and ab initio approach, we uncover an almost perfectly ...
    • Effective Sensing of RDX via Instant and Selective Detection of Ketone Vapors 

      Hu, Zhichao; Tan, Kui; Lustig, William P.; Wang, Hao; Zhao, Yonggang; Zheng, Chong; Banerjee, Debasis; Emge, Thomas J.; Chabal, Yves J.; Li, Jing
      Two new luminescent metal-organic frameworks (LMOFs) were synthesized and examined for use as sensory materials. Very fast and effective sensing of RDX was achieved by vapor detection of a cyclic ketone used as a solvent ...
    • Investigation of LiAlH 4-THF Formation by Direct Hydrogenation of Catalyzed Al and LiH 

      Lacina, D.; Yang, L.; Chopra, Irinder; Muckerman, J.; Chabal, Yves J.; Graetz, J.
      The formation of LiAlH 4-THF by direct hydrogenation of Al and LiH in tetrahydrofuran (THF) was investigated using spectroscopic and computational methods. The molecular structures and free energies of the various possible ...
    • Characterization of Ru Thin-Film Conductivity upon Atomic Layer Deposition on H-Passivated Si(111) 

      Roodenko, Ecatherina (Katy); Park, S. K.; Kwon, Jinhee; Wielunski, L.; Chabal, Yves J.
      The sheet resistance measured by a four-probe technique is compared to the resistivity data derived from the optical response of thin ruthenium films grown on hydrogen-passivated Si(111) surfaces by atomic-layer deposition ...
    • Lowering the Density of Electronic Defects on Organic-Functionalized Si(100) Surfaces 

      Peng, Weina; DeBenedetti, William J. I.; Kim, Seonjae; Hines, Melissa A.; Chabal, Yves J.
      The electrical quality of functionalized, oxide-free silicon surfaces is critical for chemical sensing, photovoltaics, and molecular electronics applications. In contrast to Si/SiO₂ interfaces, the density of interface ...
    • Morphology and Chemical Termination of HF-Etched Si₃N₄ Surfaces 

      Liu, Li-Hong; Debenedetti, William J. I.; Peixoto, Tatiana; Gokalp, Sumeyra; Shafiq, Natis; Veyan, Jean-François; Michalak, D. J.; Hourani, R.; Chabal, Yves J.
      Several reports on the chemical termination of silicon nitride films after HF etching, an important process in the microelectronics industry, are inconsistent claiming N-Hx, Si-H, or fluorine termination. An investigation ...
    • Static and Dynamic Electronic Characterization of Organic Monolayers Grafted on a Silicon Surface 

      Pluchery, O.; Zhang, Y.; Benbalagh, R.; Caillard, Louis; Gallet, J. J.; Bournel, F.; Lamic-Humblot, A.; Salmeron, M.; Chabal, Yves J.; Rochet, F.
      Organic layers chemically grafted on silicon offer excellent interfaces that may open up the way for new organic-inorganic hybrid nanoelectronic devices. However, technological achievements rely on the precise electronic ...