Atomically Precise Strategy to Synthesize Bimetallic Platinum Nanoclusters for Non-Oxidative Dehydrogenation Catalysis

Çelik, Gökhan
Ferrandon, Magali S.
Sohn, Hyuntae
Kropf, A. Jeremy
Yang, Ce
Wen, Jianguo
Hackler, Ryan A.
Liu, Cong
Marshall, Christopher L.
Stair, Peter C.
Delferro, Massimiliano


Atomically Precise Strategy to a PtZn Alloy Nanocluster Catalyst for the Deep Dehydrogenation of n -Butane to 1,3-Butadiene
Camacho-Bunquin, Jeffrey; Ferrandon, Magali S.; Sohn, Hyuntae; Kropf, A. Jeremy; Yang, Ce; Wen, Jianguo; Hackler, Ryan A.; Liu, Cong; Çelik, Gökhan; Marshall, Christopher L.; Stair, Peter C.; Delferro, Massimiliano (2018-11-02)
The development of on-purpose 1,3-butadiene (BDE) technologies remains an active area in catalysis research, because of the importance of BDE in industrial polymer production. Here, we report on a nonoxidative dehydrogenation catalyst for the production of BDE prepared by atomically precise installation of platinum sites on a Zn-modified SiO2 support via atomic layer deposition (ALD). In situ reduction X-ray absorption spectroscopy (XAS), X-ray photoelectron spectroscopy (XPS), CO chemisorption, and high-an...
Atomic and electronic structure of group-IV adsorbates on the GaAs(001)-(1 x 2) surface
Usanmaz, D.; ÇAKMAK, MELEK; Ellialtıoğlu, Süleyman Şinasi (Elsevier BV, 2009-09-01)
Ab initio calculations, based on pseudopotentials and density functional theory, have been performed to investigate the atomic and electronic structure of the group-IV adsorbates (C, Si, Ge, Sn, and Pb) on the GaAs(001)-(1 x 2) surface considered in two different models: (i) non-segregated Ga-IV-capped structure and (ii) segregated structure in which the group-IV atoms occupying the second layer while the As atom floats to the surface. The non-segregated structure is energetically more favorable than the se...
Atomic and electronic properties of spherical silicon clusters
Erkoc, S; Katırcıoğlu, Şenay (1999-07-01)
We have investigated the atomic and electronic properties of spherical ideal Si-N clusters (N = 5-417) using the empirical many-body potential energy function consisting of two- and three-body interactions, and by empirical tight-binding calculations, respectively. It has been found that the average interaction energy per atom decreases as the cluster size increases, and it becomes almost constant after the size N greater than or equal to 275. On the other hand, the band gap shows cluster size dependent cha...
Atomic ordering characteristics of Ni3Al intermetallics with substitutional ternary additions
Mehrabov, Amdulla; Akdeniz, Mahmut Vedat (1997-03-01)
The effects of substitutional ternary additions of Me = Zn, Ti, Si, Cr, Mn, Mo, W, Nb, Ta, V, Hf, or Zr on the energetical and structural characteristics of atomic short-range ordering (SRO) of Ni-3(Al(1-x)Me(x)) intermetallics with L1(2) type ordered structure have been analysed by combining the statistical theory of ordering with the electronic theory of alloys in pseudopotential approximation. The partial ordering energies and pairwise SRO parameters were calculated by taking into account the influence o...
Atomic size effect of alloying elements on the formation, evolution and strengthening of gamma'-Ni3Al precipitates in Ni-based superalloys
Eriş, Rasim; Akdeniz, Mahmut Vedat; Mehrabov, Amdulla (2019-06-01)
Mechanical properties of Ni-based superalloys strongly depend on phase and site preferences of alloying elements which influence bonding strength within gamma'-Ni3Al precipitates and microstructural characteristics of these unique class of materials. In the current work, therefore, besides disclosure of the phase partitioning behaviours of alloying X elements (i.e. X = Co, Cr, Nb, Ta or Ti) among gamma' and gamma phases, their site occupancy tendencies in gamma' precipitates (determined via first-principles...
Citation Formats
G. Çelik et al., “Atomically Precise Strategy to Synthesize Bimetallic Platinum Nanoclusters for Non-Oxidative Dehydrogenation Catalysis,” 2019, Accessed: 00, 2021. [Online]. Available: