Article
Chemistry, Physical
Truong Ba Tai, Jihoon Son, Hyeyoung Shin
Summary: In this study, we theoretically investigated the reaction mechanisms during the atomic layer deposition (ALD) of HfO2 thin film on silicon (Si) surface. We found that controlling the concentration of hydroxyl groups on the surface is crucial for enhancing the activity of the ligand-exchange reactions (LERs) and promoting HfO2-ALD.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Physical
Deb Kumar Bhowmick, Adrian Joe Urban, Manfred Bartsch, Bjoern Braunschweig, Helmut Zacharias
Summary: Efficient control of interface chemistry enables better tunability of electronic properties, and a novel near-UV-initiated direct modification method has been demonstrated to form stable organic monolayers on silicon surfaces with high hydrolytic stability.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
T. V. Pavlova, V. M. Shevlyuga, B. V. Andryushechkin, K. N. Eltsov
Summary: This study reports the removal of individual halogen atoms from Si(100)-2x1-Cl and -Br surfaces in STM. The charge states of DBs formed on the Si surface can be manipulated, allowing for tuning the reactivity of the Cl- and Br-terminated surfaces.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Jibao Wu
Summary: The coverage-dependent adsorption and stability of functionalized Ge(1 0 0) and (1 1 1) surfaces terminated with different chemical groups were systematically investigated using density functional theory calculations. The results show that Ge-X chemical bond slightly decreases with the increase of surface coverage, and Ge(1 1 1) surface exhibits stronger adsorption stability compared to Ge(1 0 0) surface.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Esther Frederick, Quinn Campbell, Angelica Benavidez, David R. Wheeler, Shashank Misra
Summary: Traditional approaches for functionalizing silicon with dopants involve grafting the dopant onto silicon substrates through O-Si or C-Si bonds, resulting in indirect attachment. Recent ultrahigh vacuum work has shown that high densities of direct B-Si bonds can enable unprecedented electronic behaviors in silicon, making it a potential next-generation electronic material. Work is currently being done to develop solvothermal approaches for forming direct dopant-Si bonds to further enhance the potential of silicon in the electronic materials field.
Article
Physics, Applied
C. E. Quinones, D. Khachariya, P. Bagheri, P. Reddy, S. Mita, R. Kirste, S. Rathkanthiwar, J. Tweedie, S. Pavlidis, E. Kohn, R. Collazo, Z. Sitar
Summary: Si-doped AlN exhibits near-ideal behavior in Schottky contacts, with stability and high rectification performance. These results demonstrate the potential of AlN for power devices operating in extreme environments.
APPLIED PHYSICS LETTERS
(2023)
Article
Chemistry, Physical
Eric Osei-Agyemang, Arish Dasan, Romain Lucas, Sylvie Foucaud, Sylvain Cristol, Etienne Laborde
Summary: This study focuses on grafting polymeric precursors onto functionalized ZrC surfaces to synthesize ZrC/SiC core/shell composites. The surface modification and subsequent grafting reactions were found to be favorable and promising for the synthesis of organic macromolecules on ZrC/SiC interfaces.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Christopher Reilly, Andrew Hutchison, Greg O. Sitz
Summary: This study investigates the rotational dynamics of diatomic molecules scattering from a solid surface. By measuring the ionization yield of scattered molecules with varying laser polarization, the researchers found significant modifications in the rotational alignment of molecules, providing insights into the role of rotational motion in molecule-surface interactions.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Gaetan Buvat, Mohammad J. Eslamibidgoli, Tianjun Zhang, Sagar Prabhudev, Azza Hadj Youssef, Andreas Ruediger, Sebastien Garbarino, Gianluigi A. Botton, Peng Zhang, Michael Eikerling, Daniel Guay
Summary: This study investigates the effect of nickel on the oxygen evolution reaction (OER) activity of iridium oxide. The experimental results show that the substitution of iridium by nickel atoms significantly improves the OER activity.
Article
Chemistry, Physical
Kenta Kuroishi, Muhammad Rifqi Al Fauzan, Thanh Ngoc Pham, Yuelin Wang, Yuji Hamamoto, Kouji Inagaki, Akitoshi Shiotari, Hiroshi Okuyama, Shinichiro Hatta, Tetsuya Aruga, Ikutaro Hamada, Yoshitada Morikawa
Summary: In this study, the reaction of nitric oxide (NO) on Cu(100) was investigated using various techniques, revealing a high reactivity of NO on the surface with N2O and O as the main products. The formation of (NO)(2) and a flat-lying ONNO are considered to be the key factors leading to the exceptionally high reactivity of NO on Cu(100).
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Salizhan Kylychbekov, Yaran Allamyradov, Zikrulloh Khuzhakulov, Inomjon Majidov, Simran Banga, Justice ben Yosef, Liviu Duta, Ali Oguz Er
Summary: This study investigated the effects of substrate temperature and ablation wavelength/mechanism on the properties of hydroxyapatite (HA) coatings. The results indicated that increasing temperature led to increased crystallinity of the coatings. However, temperatures above 700℃ negatively affected protein adsorption and adhesion properties of the coatings.
Article
Biochemistry & Molecular Biology
Guo Zhu, Mengxin Han, Baijun Xiao, Zhiyin Gan
Summary: Sputtered Cu/Si thin films were prepared at different sputtering pressures, and their characteristics were analyzed using XRD and AFM. A simulation approach for magnetron sputtering deposition was proposed, which involved MC and MD methods to simulate sputtered atom transport and deposition. The experimental and simulation results were consistent, showing that decreasing the sputtering pressure resulted in smoother Cu thin films and improved crystal quality. This work provides a realistic simulation scheme and theoretical guidance for the preparation of high-quality sputtered films.
Article
Nanoscience & Nanotechnology
Jiye Li, Yuqing Zhang, Jialiang Wang, Huan Yang, Xiaoliang Zhou, Mansun Chan, Xinwei Wang, Lei Lu, Shengdong Zhang
Summary: Researchers successfully eliminated the defective interface in amorphous InGaZnO (a-IGZO) thin-film transistors by preoxidizing a-IGZO with nitrous oxide (N2O) plasma, achieving high performance and stability. This study is of great significance for addressing the interface reaction issue between high-k dielectrics and amorphous oxide semiconductors (AOSs) in next-generation thin-film transistors.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Zhiqiang Liu, Pengyuan Qiu, Haoyang Sun, Li Sun, Zuoxiang Zeng, Zhen Liu
Summary: Vinyl acetate is mainly produced by oxidative acetoxylation of ethylene over the Pd/Au bimetallic catalyst. The role of oxygen in this process has not been well studied. This study investigated the adsorption and dissociation of O2 on Pd (100) and Pd/Au (100) surfaces, the effect of co-adsorbed O atom on C2H4, CH3COOH and CH3COO adsorption, and the reaction mechanism using ab initio density functional theory (DFT). The results suggest that O adatoms have both positive and negative effects on different adsorption and reaction steps.
MOLECULAR CATALYSIS
(2023)
Article
Chemistry, Multidisciplinary
Dhamelyz Silva-Quinones, Robert E. Butera, George T. Wang, Andrew Teplyakov
Summary: The study found that both boric acid and 4-fluorophenylboronic acid preferentially react with Cl-terminated Si(100) surfaces rather than H-terminated ones. On Cl-Si(100) surfaces, the reaction with 4-fluorophenylboronic acid introduces boron more effectively compared to boric acid.
Article
Chemistry, Physical
Anqi Song, Erik S. Skibinski, William J. I. DeBenedetti, Amnon G. Ortoll-Bloch, Melissa A. Hines
JOURNAL OF PHYSICAL CHEMISTRY C
(2016)
Article
Chemistry, Physical
William J. I. DeBenedetti, Erik S. Skibinski, Joshua A. Hinckley, Sara B. Nedessa, Melissa A. Hines
JOURNAL OF PHYSICAL CHEMISTRY C
(2016)
Article
Chemistry, Physical
Erik S. Skibinski, Anqi Song, William J. I. DeBenedetti, Amnon G. Ortoll-Bloch, Melissa A. Hines
JOURNAL OF PHYSICAL CHEMISTRY C
(2016)
Article
Chemistry, Physical
William J. I. DeBenedetti, Thomas L. Li, Melissa A. Hines
JOURNAL OF CHEMICAL PHYSICS
(2017)
Article
Chemistry, Physical
Erik S. Skibinski, William J. I. DeBenedetti, Melissa A. Hines
JOURNAL OF PHYSICAL CHEMISTRY C
(2017)
Article
Chemistry, Physical
William J. I. DeBenedetti, Erik S. Skibinski, Dapeng Jing, Anqi Song, Melissa A. Hines
JOURNAL OF PHYSICAL CHEMISTRY C
(2018)
Article
Chemistry, Multidisciplinary
Matej Velicky, Gavin E. Donnelly, William R. Hendren, Stephen McFarland, Declan Scullion, William J. I. DeBenedetti, Gabriela Calinao Correa, Yimo Han, Andrew J. Wain, Melissa A. Hines, David A. Muller, Kostya S. Novoselov, Hector D. Abruna, Robert M. Bowman, Elton J. G. Santos, Fumin Huang
Article
Multidisciplinary Sciences
Jan Balajka, Melissa A. Hines, William J. I. DeBenedetti, Mojmir Komora, Jiri Pavelec, Michael Schmid, Ulrike Diebold
Article
Chemistry, Physical
William J. I. DeBenedetti, Melissa A. Hines
JOURNAL OF PHYSICAL CHEMISTRY C
(2019)
Article
Chemistry, Physical
Alice Galdi, William J. I. DeBenedetti, Jan Balajka, Luca Cultrera, Ivan V. Bazarov, Jared M. Maxson, Melissa A. Hines
JOURNAL OF CHEMICAL PHYSICS
(2020)
Article
Chemistry, Multidisciplinary
Matej Velicky, Gavin E. Donnelly, William R. Hendren, William J. I. DeBenedetti, Melissa A. Hines, Kostya S. Novoselov, Hector D. Abruna, Fumin Huang, Otakar Frank
ADVANCED MATERIALS INTERFACES
(2020)
Article
Physics, Applied
Alice Galdi, Jan Balajka, William J. I. DeBenedetti, Luca Cultrera, Ivan V. Bazarov, Melissa A. Hines, Jared M. Maxson
Summary: Research found that cesium antimonide photocathodes grown on 3C-SiC substrates exhibit larger island size and significantly reduced roughness, with the local electric fields they generate contributing to a decrease in MTE.
APPLIED PHYSICS LETTERS
(2021)
Article
Chemistry, Physical
William J. DeBenedetti, Melissa A. Hines
Summary: Fluorination can enhance the photoreactivity of TiO2 nanocrystals and the fluorinated surface exhibits excellent contamination resistance. The rough morphology and isotropic etching of the fluorinated surface indicate the surface instability caused by fluorine and the unique reaction dynamics of XeF2.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Physics, Multidisciplinary
C. T. Parzyck, A. Galdi, J. K. Nangoi, W. J. DeBenedetti, J. Balajka, B. D. Faeth, H. Paik, C. Hu, T. A. Arias, M. A. Hines, D. G. Schlom, K. M. Shen, J. M. Maxson
Summary: Epitaxial thin films of Cs3Sb on 3C-SiC(001) demonstrate higher quantum efficiency, better electronic structure, and permit angle-resolved photoemission spectroscopy measurements.
PHYSICAL REVIEW LETTERS
(2022)
Meeting Abstract
Chemistry, Multidisciplinary
Melissa Hines, Erik Skibinski, William DeBenedetti
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2017)