TY  - JOUR
PB  - Elsevier B.V.
UR  - https://www.scopus.com/inward/record.uri?eid=2-s2.0-85008392028&doi=10.1016%2fj.jmmm.2016.12.005&partnerID=40&md5=ae3b6562d40828e4f9288ee03531d5e8
A1  - Yahya, N.
A1  - Qureshi, S.
A1  - Rehman, Z.U.
A1  - Alqasem, B.
A1  - Fai Kait, C.
Y1  - 2017///
SN  - 03048853
TI  - Green urea synthesis catalyzed by hematite nanowires in magnetic field
ID  - scholars8710
SP  - 469
N1  - cited By 16
VL  - 428
JF  - Journal of Magnetism and Magnetic Materials
N2  - The catalytic activity of hematite (α-Fe2O3) nanowires under the influence of magnetic field on urea synthesis is considered green. The adsorption and subsequent dissociative reaction of hydrogen, nitrogen and carbon dioxide gases on the α-Fe2O3 (111) nanowires were investigated using the density functional theory (DFT) method. The average adsorption energy is â??4.12 kcal/mole at different sites. The adsorption of gases resulted in a difference in density and net spin of electrons from 68 to 120 and 0â??21 respectively. In addition, it induces magnetic moment value of 36.33 µB, which confirms the enhanced magnetic behaviour of hematite. α-Fe2O3 nanowires (NWs) synthesized by heating iron wire in a box furnace at (750â??800) °C and as synthesized α-Fe2O3 nanoparticles (NPs) were received to use as a catalyst in the magnetic reaction of urea synthesis. X-ray Diffractometer (XRD) confirms the peaks of rhombohedral structure of α-Fe2O3 and Raman spectrum analyses confirms the α-Fe2O3 peaks at 410 cmâ??1, 500 cmâ??1 and 616 cmâ??1. The needle-like shape of hematite nanowires with length ranging from 16â??25) μm and diameter from 74 to 145 nm confirmed by Field emission scanning electron microscopy (FESEM). The magnetic properties of the nanowires exhibited different levels of saturation magnetization, for α-Fe2O3 perpendicularly aligned direction (13.18 emu/g) and random direction (10.73 emu/g). Urea synthesis was done under magnetic field ranges from 0.0 to 2.5 T. The activation energy of α-Fe2O3 NWs for urea production is lower than NPs in the range of 0â??1 T, whereas it is reversed for higher magnetic induction values. Fourier transform infrared spectroscopy (FTIR) confirmed the formation of urea at the peaks of 1690â??1600 cmâ??1. This green urea employing magnetically induced method could be a contender to the Haber-Bosch process currently used by the current industry which utilizes high temperature and high pressure. © 2017 The Authors
AV  - none
EP  - 480
KW  - Activation energy; Adsorption; Carbon; Carbon dioxide; Catalyst activity; Density functional theory; Field emission microscopes; Fourier transform infrared spectroscopy; Hematite; Magnetic fields; Magnetic moments; Magnetism; Metabolism; Nanomagnetics; Nanowires; Nitrogen; Photodissociation; Saturation magnetization; Scanning electron microscopy; Spectrum analysis; Synthesis (chemical); Urea
KW  -  Adsorption energies; Density functional theory methods; Field emission scanning electron microscopy; Haber-Bosch process; High temperature and high pressure; Influence of magnetic field; Rhombohedral structures; X ray diffractometers
KW  -  Density of gases
ER  -