scholarly journals Selective kinetic growth and role of local coordination in forming Al2TiO5-based coatings at lower temperatures

2021 ◽  
Author(s):  
Sebastian Öhman ◽  
Ren Qiu ◽  
Tomas Edvinsson ◽  
Olof Bäcke ◽  
Tobias Törndahl ◽  
...  
Keyword(s):  
Phase Formation ◽  
Titanium Isopropoxide ◽  
Binary Phase ◽  
Local Coordination ◽  
Kinetic Growth

Al2TiO5-based coatings made from aluminium- and titanium-isopropoxide co-deposition using MOCVD, offering reduced temperatures and timescales for its synthesis without binary phase formation.

Metastable phase formation during the reaction of Ni films with Si(001): The role of texture inheritance

2010 ◽  
Vol 107 (9) ◽  
pp. 093515 ◽  
Author(s):  
S. Gaudet ◽  
C. Coia ◽  
P. Desjardins ◽  
C. Lavoie
Keyword(s):  
Phase Formation ◽  
Metastable Phase ◽  
Metastable Phase Formation

Role of Coulomb interaction in the phase formation of fcc Ce: Correlation matrix renormalization theory

2021 ◽  
Vol 104 (8) ◽  
Author(s):  
Jun Liu ◽  
Yongxin Yao ◽  
Jianhua Zhang ◽  
Kai-Ming Ho ◽  
Cai-Zhuang Wang
Keyword(s):  
Coulomb Interaction ◽  
Phase Formation ◽  
Correlation Matrix ◽  
Renormalization Theory

Role of size, alio-/multi-valency and non-stoichiometry in the synthesis of phase-pure high entropy oxide (Co,Cu,Mg,Na,Ni,Zn)O

2020 ◽  
Vol 49 (21) ◽  
pp. 7123-7132 ◽  
Author(s):  
Nandhini J. Usharani ◽  
Rajat Shringi ◽  
Harshil Sanghavi ◽  
S. Subramanian ◽  
S. S. Bhattacharya
Keyword(s):  
Phase Formation ◽  
Single Phase ◽  
High Entropy ◽  
Phase Pure ◽  
Single Phase Formation

Presence of multivalency/non-stoichiometry to accommodate a different-sized cation and maintaining electroneutrality were identified as the critical criteria for single-phase formation in multicomponent/high entropy systems.

scholarly journals Unraveling the coordination structure-performance relationship in Pt1/Fe2O3 single-atom catalyst

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Yujing Ren ◽  
Yan Tang ◽  
Leilei Zhang ◽  
Xiaoyan Liu ◽  
Lin Li ◽  
...  
Keyword(s):  
Coordination Chemistry ◽  
Homogeneous Catalysis ◽  
Catalytic Performance ◽  
Inert Atmosphere ◽  
Single Atom ◽  
Unique Role ◽  
Local Coordination ◽  
Single Atoms ◽  
Heterogeneous And Homogeneous Catalysis

Abstract Heterogeneous single-atom catalyst (SAC) opens a unique entry to establishing structure–performance relationship at the molecular level similar to that in homogeneous catalysis. The challenge lies in manipulating the coordination chemistry of single atoms without changing single-atom dispersion. Here, we develop an efficient synthetic method for SACs by using ethanediamine to chelate Pt cations and then removing the ethanediamine by a rapid thermal treatment (RTT) in inert atmosphere. The coordination chemistry of Pt single atoms on a Fe2O3 support is finely tuned by merely adjusting the RTT temperature. With the decrease in Pt-O coordination number, the oxidation state of Pt decreases, and consequently the hydrogenation activity increases to a record level without loss of chemoselectivity. The tunability of the local coordination chemistry, oxidation states of the metal, and the catalytic performance of single atoms reveals the unique role of SACs as a bridge between heterogeneous and homogeneous catalysis.

scholarly journals Role of Internal Stress in the Early-Stage Nucleation of Amorphous Calcium Carbonate Gels

2020 ◽  
Vol 10 (12) ◽  
pp. 4359 ◽  
Author(s):  
Qi Zhou ◽  
Tao Du ◽  
Lijie Guo ◽  
Gaurav Sant ◽  
Mathieu Bauchy
Keyword(s):  
Molecular Dynamics ◽  
Calcium Carbonate ◽  
Driving Force ◽  
Early Stage ◽  
Local Stress ◽  
Amorphous Calcium Carbonate ◽  
Local Coordination ◽  
Dynamics Simulations ◽  
Over Time

Although calcium carbonate (CaCO3) precipitation plays an important role in nature, its mechanism remains only partially understood. Further understanding the atomic driving force behind the CaCO3 precipitation could be key to facilitate the capture, immobilization, and utilization of CO2 by mineralization. Here, based on molecular dynamics simulations, we investigate the mechanism of the early-stage nucleation of an amorphous calcium carbonate gel. We show that the gelation reaction manifests itself by the formation of some calcium carbonate clusters that grow over time. Interestingly, we demonstrate that the gelation reaction is driven by the existence of some competing local molecular stresses within the Ca and C precursors, which progressively get released upon gelation. This internal molecular stress is found to originate from the significantly different local coordination environments exhibited by Ca and C atoms. These results highlight the key role played by the local stress acting within the atomic network in governing gelation reactions.

The Al–Sb–V–Oxide System for Propane Ammoxidation: A Study of Regions of Phase Formation and Catalytic Role of Al, Sb, and V

1996 ◽  
Vol 160 (2) ◽  
pp. 244-260 ◽  
Author(s):  
Jerker Nilsson ◽  
Angel R. Landa-Cánovas ◽  
Staffan Hansen ◽  
Arne Andersson
Keyword(s):  
Phase Formation ◽  
Oxide System ◽  
Propane Ammoxidation ◽  
Catalytic Role

Role of silver on phase formation and texture development in Ag/BSCCO composites

1995 ◽  
Vol 23 (1-3) ◽  
pp. 65-68 ◽  
Author(s):  
Hee-Gyoun Lee ◽  
Gye-Won Hong ◽  
Jong-Jin Kim ◽  
Myoung-Youp Song
Keyword(s):  
Phase Formation ◽  
Texture Development
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