LEADER 00000cam a22006378i 4500
001 on1051778517
003 OCoLC
005 20211008041809.0
006 m o d
007 cr |||||||||||
008 180904s2017 nyu ob 001 0 eng
010 2018042592
020 1536139858
020 9781536139853|q(electronic book)
020 |z9781536139846|q(softcover)
035 (OCoLC)1051778517
040 DLC|beng|erda|cDLC|dOCLCO|dN$T
042 pcc
049 RIDW
050 10 TA418.9.N35
072 7 TEC|x009000|2bisacsh
072 7 TEC|x035000|2bisacsh
082 00 620.1/15|223
090 TA418.9.N35
245 00 First-principle vs experimental design of nanomaterials /
|cOmar Mounkachi, Abdelilah Benyoussef and Mohamed
Hamedoun.
263 1809
264 1 Hauppauge, New York :|bNova Science Publisher's, Inc.,
|c[2017]
300 1 online resource.
336 text|btxt|2rdacontent
337 computer|bn|2rdamedia
338 online resource|bnc|2rdacarrier
347 text file|2rdaft
490 1 Nanotechnology science and technology
500 Includes index.
505 0 A nanoparticules simulation study of the magnetic and
magnetocaloric properties and the size effect of DyNi4Si /
E. Salmani, M. Rouchdi, O. Mounkachi, A. Endichi, H. Ez-
Zahraouy, N. Hassanain, A. Mzerd and A. Benyoussef,
Laboratoire de la Matière Condensée et Sciences
Interdisciplinaires (LaMCScI), Mohammed V University,
Faculty of Sciences, B.P., Rabat, Morocco, and others --
Band-gap engineering of SnO2 and nature of substrate
effect (Ge, Si and SnO2) on the band gap of TiO2 ultra-
thin films: a promising new nanomaterial for solar energy
technologies and the photocatalytic / E. Salmani, M.
Rouchdi, A. Endichi, O. Mounkachi, H. Ez-Zahraouy, N.
Hassanain, A. Mzerd and A. Benyoussef, Laboratoire de la
Matière Condensée et Sciences Interdisciplinaires
(LaMCScI), Mohammed V University, Faculty of Sciences,
B.P., Rabat, Morocco, and others -- Composite
Nd0.7Sr0.3MnO3: CuO materials for magnetic refrigeration
applications / L.Fkhar, K. El Maalam, E. Salmani, A.
Mahmoud, F. Boschini, M. Hamedoun, A. EL Kenz, A.
Benyoussef, H. Ez-Zahraouy and O. Mounkachi, Materials-
Nanomaterials Center, MAScIR Foundation, B.P., Rabat,
Morocco, and others -- Computational study of intrinsic
defects on electronic properties of pyrites FeS2: first-
principles calculations / F. Goumrhar, E.Salmani, M.
Lakhal, O. Mounkachi, K. El Maalam, M. Hamedoun, L. Bahmad,
and A. Benyoussef, Laboratory of Physics of High Energy,
Modeling & Simulations (LPHE-MS), Faculty of Sciences,
Mohammed V University of Rabat, Av. Ibn Batouta, B. P.,
Rabat, Morocco, and others -- Deposition period effect on
physical properties of Cu2CdSnS4 thin films and influence
of Mg concentration on physical properties of sprayed mg-
doped SnO2 thin films: experimental and ab-initio study /
M. Rouchdi, E. Salmani, O.Mounkachi, H. Ez-Zahraouy, N.
Hassanain, and A. Mzerd, Équipe des Semi-Conducteurs et
Technologie Des Capteur D'environnement STCE- Centre de
Recherche en Énergie- Mohammed V University, Faculty of
Sciences, B.P., Rabat, Morocco, and others -- Enhancement
of superparamagnetic properties in Sn-doped nanocrystlline
cobalt ferrite / L. Fkhar, B. Abraime, E. Salmani, K. El
Maalam, M. Hamedoun, M. Ait Ali, H. Ez-Zahraouy, A.
Benyoussef and O. Mounkachi, Materials-Nanomaterials
Center, MAScIR Foundation, B.P., Rabat, Morocco, and
others -- Strain effect on the green and red emissions of
ZnO:Zr thin films deposited by spray pyrolysis / H.
Cherrad, K. Bahedi, M. Addou, M. El Jouad, E. Salmani, M.
Rouchdi, O. Mounkachi, H. Ez-Zahraouy, N. Hassanain, and
A. Mzerd, Laboratoire Optoélectronique et Physico-chimie
des Matériaux, Unité de Recherche Associée au CNRST-URAC-
14, Université Ibn Tofail, Faculté des Sciences, B.P.,
Kenitra, Morocco, and others -- The provenance of the
giant magnetocaloric effect in multiferroic RMn2O5 single
crystals: first-principles calculations / H. Bouhani, A.
Endichi, H. Zaari, E. Salmani, H. Ez-Zahraouy, A.
Benyoussef, M. Hamedoun, M. Balli, A. El Kenz and O.
Mounkachi, Laboratoire de la Matière Condensée et Sciences
Interdisciplinaires (LaMCScI), Mohammed V University,
Faculty of Sciences, B.P., Rabat, Morocco, and others --
Theoretical prediction of physical properties of
phosphorene and phosphorene nanoribbons / A. Sibari, O.
Mounkachi, M. Lakhal, M.Hamedoun, A. Marjaoui, A.
Benyoussef, Laboratoire de la Matière Condensée et
Sciences Interdisciplinaires (LaMCScI), Mohammed V
University, Faculty of Sciences, B.P., Rabat, Morocco, and
others.
520 "The first-principle approach is designed for the
interpretation of the experimental observations and
prediction of properties for new nanomaterials. The
understanding of physical phenomena requires a description
at the atomic scale where size and geometric organization
play important roles. The major challenge is to model
systems as close as possible to those developed in the
laboratory. The complexity both in terms of the geometric
structure and chemical composition that comprise the
modeling of such systems requires an entire panel of
approaches ranging from semi-empirical methods to ab
initio methods. At the atomic scale, the elementary bricks
of the buildings are atoms. The cohesion and dynamics of
these buildings are the result of interactions between
these atoms. Two major classes of modeling techniques for
these buildings can be distinguished: Electronic structure
calculations and molecular simulation methods. Molecular
simulation methods are limited in their application since
they cannot be used to model properties that depend on the
electronic structure. As part of the electronic structure
calculations, the building is described by the notion of
wave function. One of the fundamental tasks of quantum
physics is to solve a differential equation according to
the electronic, nuclear and spin coordinates via the
Schrödinger equation. The resolution of this equation in
analytical form is impossible, except in the case of
hydrogenites. Different numerical resolution methods have
been developed based on a series of simplifications and
successive approximation techniques. Once solved, this
equation gives the total energy of the system, the
associated wave function, and the energies of the
electronic states"--|cProvided by publisher.
588 Description based on print version record and CIP data
provided by publisher; resource not viewed.
590 eBooks on EBSCOhost|bEBSCO eBook Subscription Academic
Collection - North America
650 0 Nanostructured materials|0https://id.loc.gov/authorities/
subjects/sh93000864|xDesign.|0https://id.loc.gov/
authorities/subjects/sh2002006371
650 7 Nanostructured materials.|2fast|0https://id.worldcat.org/
fast/1032630
650 7 Design.|2fast|0https://id.worldcat.org/fast/891253
650 7 TECHNOLOGY & ENGINEERING / Engineering (General)|2bisacsh
650 7 TECHNOLOGY & ENGINEERING / Reference.|2bisacsh
655 4 Electronic books.
700 1 Mounkachi, Omar,|0https://id.loc.gov/authorities/names/
no2018111657|eeditor.
700 1 Benyoussef, Abdelilah,|0https://id.loc.gov/authorities/
names/no2018111658|eeditor.
700 1 Hamedoun, Mohamed,|0https://id.loc.gov/authorities/names/
no2018111628|eeditor.
776 08 |iPrint version:|tFirst-principle vs experimental design
of nanomaterials|dHauppauge, New York : Nova Science
Publisher's, Inc., [2017]|z9781536139846|w(DLC)
2018036788
830 0 Nanotechnology science and technology series.|0https://
id.loc.gov/authorities/names/no2009109464
856 40 |uhttps://rider.idm.oclc.org/login?url=https://
search.ebscohost.com/login.aspx?direct=true&scope=site&
db=nlebk&AN=2096476|zOnline ebook via EBSCO. Access
restricted to current Rider University students, faculty,
and staff.
856 42 |3Instructions for reading/downloading the EBSCO version
of this ebook|uhttp://guides.rider.edu/ebooks/ebsco
901 MARCIVE 20231220
948 |d20211213|cEBSCO|tEBSCOebooksacademic NEW Oct-Nov 5018
|lridw
994 92|bRID
