Dinitrogen and Carbon Dioxide Activation to Form C–N Bonds at Room Temperature: A New Mechanism Revealed by Experimental and Theoretical Studies

2021 ◽  
pp. 3490-3496
Author(s):  
Ming Wang ◽  
Lan-Ye Chu ◽  
Zi-Yu Li ◽  
Antonis M. Messinis ◽  
Yong-Qi Ding ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Room Temperature ◽  
Theoretical Studies ◽  
Carbon Dioxide Activation ◽  
Experimental And Theoretical Studies

scholarly journals Doping effect and oxygen defects boost room temperature ferromagnetism of Co-doped ZnO nanoparticles: experimental and theoretical studies

RSC Advances ◽  
2019 ◽  
Vol 9 (40) ◽  
pp. 23012-23020 ◽  
Author(s):  
Yan Zong ◽  
Yong Sun ◽  
Shiyan Meng ◽  
Yajing Wang ◽  
Hongna Xing ◽  
...  
Keyword(s):  
Zno Nanoparticles ◽  
Decomposition Method ◽  
Room Temperature ◽  
Room Temperature Ferromagnetism ◽  
Theoretical Studies ◽  
Thermal Decomposition Method ◽  
Oxygen Defects ◽  
Doped Zno ◽  
Experimental And Theoretical Studies ◽  
Co Doped

Co-doped ZnO nanoparticles with different dosage concentrations were fabricated by a thermal decomposition method.

Experimental and Theoretical Studies on the Reduction of CO2 to CO with Chloro(methyl)disilane Components from the Direct Process

Synlett ◽  
2017 ◽  
Vol 28 (18) ◽  
pp. 2439-2444 ◽  
Author(s):  
Frank Jensen ◽  
Troels Skrydstrup ◽  
Mathias Flinker ◽  
Sara Lopez ◽  
Dennis Nielsen ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Carbon Monoxide ◽  
Dft Calculations ◽  
Theoretical Studies ◽  
Direct Process ◽  
Industrial Synthesis ◽  
Reduce Carbon Dioxide ◽  
Reduction Of Co2 ◽  
Fluoride Salts ◽  
Experimental And Theoretical Studies

Three disilanes, (CH3)3SiSi(CH3)3, Cl(CH3)2SiSi(CH3)2Cl, and Cl2(CH3)SiSi(CH3)Cl2, all representing components of the Direct Process residue for the industrial synthesis of chloromethylsilanes, were evaluated for their abilities to reduce carbon dioxide to carbon monoxide upon treatment with fluoride salts. In particular, Cl(CH3)2SiSi(CH3)2Cl proved to be highly efficient upon the use of stoichiometric amounts of potassium bifluoride. DFT calculations performed on the reduction steps with (CH3)3SiSi(CH3)3 and fluorinated analogues of this disilane suggest that the previously proposed pathway involving an intermediate silacarboxylic acid is plausible.

scholarly journals Ligand assisted carbon dioxide activation and hydrogenation using molybdenum and tungsten amides

2015 ◽  
Vol 44 (14) ◽  
pp. 6560-6570 ◽  
Author(s):  
Subrata Chakraborty ◽  
Olivier Blacque ◽  
Heinz Berke
Keyword(s):  
Carbon Dioxide ◽  
Room Temperature ◽  
Carbon Dioxide Activation ◽  
Hydrogenation Of Carbon Dioxide ◽  
And Tungsten

Molybdenum and tungsten amides M(NO)(CO)(PNP) {M = Mo, 3a; W, 3b; PNP = (iPr2PCH2CH2)2N} can activate CO2 at room temperature forming carbamate species M(NO)(CO)(PNP)(OCO) (M = Mo, 4a(trans); W = 4b(trans). Employing 3a,b stoichiometric hydrogenation of carbon dioxide could be demonstrated.

Seasonal carbon dioxide exchange between the regolith and atmosphere of Mars: Experimental and theoretical studies

1982 ◽  
Vol 87 (B12) ◽  
pp. 10215 ◽  
Author(s):  
Fraser P. Fanale ◽  
W. Bruce Banerdt ◽  
R. Steven Saunders ◽  
L. A. Johansen ◽  
James R. Salvail
Keyword(s):  
Carbon Dioxide ◽  
Carbon Dioxide Exchange ◽  
Theoretical Studies ◽  
Experimental And Theoretical Studies

Defect-original room-temperature hydrogen sensing of MoO3 nanoribbon: Experimental and theoretical studies

2018 ◽  
Vol 260 ◽  
pp. 21-32 ◽  
Author(s):  
Shulin Yang ◽  
Zhao Wang ◽  
Yongming Hu ◽  
Yaxuan Cai ◽  
Rui Huang ◽  
...  
Keyword(s):  
Room Temperature ◽  
Theoretical Studies ◽  
Hydrogen Sensing ◽  
Experimental And Theoretical Studies

scholarly journals Experimental and Theoretical Studies of the Gas-Phase Reactions of O(1D) with H2O and D2O at Low Temperature

2021 ◽  
Author(s):  
Kevin M. Hickson ◽  
Somnath Bhowmick ◽  
Yury V. Suleimanov ◽  
João Brandão ◽  
Daniela V. Coelho
Keyword(s):  
Low Temperature ◽  
Gas Phase ◽  
Room Temperature ◽  
Theoretical Study ◽  
Theoretical Studies ◽  
Gas Phase Reactions ◽  
Experimental And Theoretical Studies

Here we report the results of an experimental and theoretical study of the gas-phase reactions between O(1D) and H2O and O(1D) and D2O at room temperature and below. On the...

Room temperature ferromagnetism in SnO2 nanoparticles: an experimental and density functional study

2014 ◽  
Vol 2 (43) ◽  
pp. 9294-9302 ◽  
Author(s):  
Pawan Chetri ◽  
Biswajit Choudhury ◽  
Amarjyoti Choudhury
Keyword(s):  
Density Functional ◽  
Room Temperature ◽  
Sno2 Nanoparticles ◽  
Room Temperature Ferromagnetism ◽  
Functional Study ◽  
Theoretical Studies ◽  
Density Functional Study ◽  
Experimental And Theoretical Studies

Experimental and theoretical studies confirm that ferromagnetism in SnO2 appears owing to Sn4+ vacancies.

Reassessment of the electron density in Cu2O using γ-ray diffraction

2014 ◽  
Vol 70 (6) ◽  
pp. 983-988
Author(s):  
Wolfgang Jauch ◽  
Manfred Reehuis
Keyword(s):  
Electron Density ◽  
Room Temperature ◽  
Covalent Bonding ◽  
Order Structure ◽  
Theoretical Studies ◽  
Single Crystal Diffraction ◽  
Structure Factors ◽  
Bonding Hypothesis ◽  
Multipole Refinement ◽  
Experimental And Theoretical Studies

The electron-density distribution in Cu2O has been critically reexamined to test controversial conclusions from earlier experimental and theoretical studies. The electron density is derivedviamultipole refinement of high-quality single-crystal diffraction data, collected at room temperature with 316.5 keV gamma radiation. Four γ-lines in the energy range 200–600 keV have been used to extrapolate extinction-free low-order structure factors. The remaining extinction corrections refine to a crystal mosaicity identical to the observed one. There is no support for anharmonic contributions to the thermal parameters. Important features of the derived electron density are (i) a partially filled d_{z^2} orbital, (ii) an incomplete ionization of Cu and O, and (iii) no interstitial Cu–Cu charge pileup, thereby refuting the covalent bonding hypothesis.

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