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“Coupled electron-hole transport: generalized random-phase approximation and density functional theory”. Tso HC, Vasilopoulos P, Peeters FM, Surface science : a journal devoted to the physics and chemistry of interfaces 305, 400 (1994). http://doi.org/10.1016/0039-6028(94)90925-3
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.925
Times cited: 5
DOI: 10.1016/0039-6028(94)90925-3
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“Critical assessments and thermodynamic modeling of BaO-SiO2 and SiO2-TiO2 systems and their extensions into liquid immiscibility in the BaO-SiO2-TiO2 system”. Boulay E, Nakano J, Turner S, Idrissi H, Schryvers D, Godet S, Calphad computer coupling of phase diagrams and thermochemistry 47, 68 (2014). http://doi.org/10.1016/j.calphad.2014.06.004
Abstract: This study discusses rational reproduction of liquid immiscibility in the BaO-SiO2-TiO2 system. While a ternary assessment requires sub-binary descriptions in the same thermodynamic model, the related sub-binary systems BaO-SiO2, BaO-TiO2 and SiO2-TiO2 liquid and solid phases have been evaluated using different thermodynamic models in the literature. In this study, BaO-SiO2 and SiO2-TiO2 were assessed using the Ionic Two Sublattice model (I2SL) based on experimental data from the literature. BaO-TiO2 was already assessed using this model. Binary descriptions developed were then used for the assessment of liquid immiscibility in the BaO-SiO2-TiO2 system. Ternary interaction parameters were found necessary for rational reproduction of the new ternary experimental data gathered in the present work. The model parameters for each system were evaluated using a CAPLHAD approach. A set of parameters is proposed. They show good agreement between the calculated and experimental equilibrium liquidus, liquid immiscibility and thermochemical properties in the BaO-SiO2-TiO2 system. (C) 2014 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.6
Times cited: 9
DOI: 10.1016/j.calphad.2014.06.004
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“A critical comparison of MINDO/3, MNDO, AM1 and PM3 for a model problem: carbon clusters C2-C10. An ad hoc reparametrization of MNDO well suited for the accurate prediction of their spectroscopic constants”. Martin JML, François JP, Gijbels R, Journal of computational chemistry 12, 52 (1991)
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.589
Times cited: 76
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“Crystal field, orientational order, and lattice contraction in solid C60”. Lamoen D, Michel KH, The journal of chemical physics 101, 1435 (1994). http://doi.org/10.1063/1.467768
Abstract: A model of the intermolecular potential in solid C-60, which is based on Born-Mayer repulsions, van der Waals attractions, and electrostatic multipoles, is presented. The potential is expanded in terms of multipolar rotator functions. The orientation-orientation interaction and the crystal field are calculated. The orientational phase transition to the Pa3 phase is studied with the methods of statistical mechanics. The discontinuity of the order parameter at the transition and the temperature evolution of the order parameter are calculated. The lattice contraction at the phase transition is evaluated. The influence of the lattice contraction on the crystal field and on the orientational order is studied.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.952
Times cited: 39
DOI: 10.1063/1.467768
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“Crystal structure and magnetic properties of novel reduced V(IV)-based oxide Pb2V5O12”. Shpanchenko RV, Chyornaya VV, Abakumov AM, Antipov EV, Hadermann J, Van Tendeloo G, Kaul E, Geibel C, Sheptyakov D, Balagurov AM, Zeitschrift für anorganische und allgemeine Chemie 627, 2143 (2001). http://doi.org/10.1002/1521-3749(200109)627:9<2143::AID-ZAAC2143>3.0.CO;2-R
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.144
Times cited: 4
DOI: 10.1002/1521-3749(200109)627:9<2143::AID-ZAAC2143>3.0.CO;2-R
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“Crystal structure and phase transitions in Sr3WO6”. King G, Abakumov AM, Hadermann J, Alekseeva AM, Rozova MG, Perkisas T, Woodward PM, Van Tendeloo G, Antipov EV, Inorganic chemistry 49, 6058 (2010). http://doi.org/10.1021/ic100598v
Abstract: The crystal structures of the beta and gamma polymorphs of Sr3WO6 and the gamma <->beta phase transition have been investigated using electron diffraction, synchrotron X-ray powder diffraction, and neutron powder diffraction. The gamma-Sr3WO6 polymorph is stable above T-c approximate to 470 K and adopts a monoclinically distorted double perovskite A(2)BB'O-6= Sr2SrWO6 structure (space group Cc, a = 10.2363(1)angstrom, b= 17.9007(1)angstrom, c= 11.9717(1)angstrom, beta=125.585(1)degrees at T= 1373 K, Z=12, corresponding to a = a(p)+1/2b(p) – 1/2c(p), b =3/2b(p) + 3/2c(p), c =-b(p) + c(p), a(p),b(p), c(p), lattice vectors of the parent Fm (3) over barm double perovskite structure). Upon cooling it undergoes a continuous phase transition into the triclinically distorted beta-Sr3WO6 phase (space group Cl, a = 10.09497(3)angstrom, b = 17.64748(5)angstrom, c = 11.81400(3)angstrom, alpha = 89.5470(2)degrees, beta= 125.4529(2)degrees, gamma =90.2889(2)degrees at T= 300 K). Both crystal structures of Sr3WO6 belong to a family of double perovskites with broken corner sharing connectivity of the octahedral framework. A remarkable feature of the gamma-Sr3WO6 structure is a non-cooperative rotation of the WO6 octahedra. One third of the WO6 octahedra are rotated by 45 about either the bp or the cp axis of the parent double perovskite structure. As a result, the WO6 octahedra do not share corners but instead share edges with the coordination polyhedra of the Sr cations at the B positions increasing their coordination number from 6 to 7 or 8. The crystal structure of the beta-phase is very close to the structure of the gamma-phase; decreasing symmetry upon the gamma ->beta transformation occurs because of unequal octahedral rotation angles about the bp and cp axes and increasing distortions of the WO6 octahedra.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 18
DOI: 10.1021/ic100598v
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“Crystal structure and properties of Ru-stoichiometric LaSrMnRuO6”. Bune RO, Lobanov MV, Popov G, Greenblatt M, Botez CE, Stephens PW, Croft M, Hadermann J, Van Tendeloo G, Chemistry of materials 18, 2611 (2006). http://doi.org/10.1021/cm052371q
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 17
DOI: 10.1021/cm052371q
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“Crystal structure and properties of the new vanadyl(IV)phosphates Na2MVO(PO4)2 M=Ca and Sr”. Chernaya VV, Tsirlin AA, Shpanchenko RV, Antipov EV, Gippius AA, Morozova EN, Dyakov V, Hadermann J, Kaul EE, Geibel C, Journal of solid state chemistry 177, 2875 (2004). http://doi.org/10.1016/j.jssc.2004.04.035
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 6
DOI: 10.1016/j.jssc.2004.04.035
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“Crystal structure and properties of the Na1-xRu2O4 phase”. Panin RV, Khasanova NR, Abakumov AM, Schnelle W, Hadermann J, Antipov EV, Russian chemical bulletin 55, 1717 (2006). http://doi.org/10.1007/s11172-006-0478-6
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.529
Times cited: 5
DOI: 10.1007/s11172-006-0478-6
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“Crystal structure of a lightweight borohydride from submicrometer crystallites by precession electron diffraction”. Hadermann J, Abakumov A, Van Rompaey S, Perkisas T, Filinchuk Y, Van Tendeloo G, Chemistry of materials 24, 3401 (2012). http://doi.org/10.1021/cm301548k
Abstract: We demonstrate that precession electron diffraction at low-dose conditions can be successfully applied for structure analysis of extremely electron-beam-sensitive materials. Using LiBH4 as a test material, complete structural information, including the location of the H atoms, was obtained from submicrometer-sized crystallites. This demonstrates for the first time that, where conventional transmission electron microscopy techniques fail, quantitative precession electron diffraction can provide structural information from submicrometer particles of such extremely electron-beam-sensitive materials as complex lightweight hydrides. We expect the precession electron diffraction technique to be a useful tool for nanoscale investigations of thermally unstable lightweight hydrogen-storage materials.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 17
DOI: 10.1021/cm301548k
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“The crystal structure of \alpha-K3AIF6: elpasolites and double perovskites with broken corner-sharing connectivity of the octahedral framework”. Abakumov AM, King G, Laurinavichute VK, Rozova MG, Woodward PM, Antipov EV, Inorganic chemistry 48, 9336 (2009). http://doi.org/10.1021/ic9013043
Abstract: The crystal structure of α-K3AlF6 was solved and refined from a combination of powder X-ray and neutron diffraction data (a = 18.8385(3)Å, c = 33.9644(6)Å, S.G. I41/a, Z = 80, RP(X-ray) = 0.037, RP(neutron) = 0.053). The crystal structure is of the A2BB′X6 elpasolite type with the a = b ≈ ae√5, c = 4ae superstructure (ae, parameter of the elpasolite subcell) and rock-salt-type ordering of the K and Al cations over the B and B′ positions, respectively. The remarkable feature of α-K3AlF6 is a rotation of 2/5 of the AlF6 octahedra by π/4 around one of the crystal axes of the elpasolite subcell, coinciding with the 4-fold symmetry axes of the AlF6 octahedra. The rotation of the AlF6 octahedra replaces the corner-sharing between the K and Al polyhedra by edge-sharing, resulting in an increase of coordination numbers of the K cations at the B positions up to 7 and 8. Due to significant deformations of the K polyhedra, the corner-sharing connectivity of the octahedral elpasolite framework is broken and the rotations of the AlF6 octahedra do not have a cooperative character. Elpasolites and double perovskites with similar structural organization are discussed. The difference in ionic radii of the B and B′ cations as well as the tolerance factor are proposed to be the parameters governing the formation of elpasolites and double perovskites with broken corner-sharing connectivity of the octahedral framework.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 20
DOI: 10.1021/ic9013043
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“The crystal structure of Ba8Ta6NiO24: cation ordering in hexagonal perovskites”. Abakumov AM, Van Tendeloo G, Scheglov AA, Shpanchenko RV, Antipov EV, Journal of solid state chemistry 125, 102 (1996). http://doi.org/10.1006/jssc.1996.0270
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.133
Times cited: 38
DOI: 10.1006/jssc.1996.0270
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“Crystal structure of Bi6Sr8-xCa3+xO22(-0.5\leq x\leq1.7): a mixed valence bismuth oxide related to perovskite”. Luhrs CC, Molins E, Van Tendeloo G, Beltran-Porter D, Fuertes A, Chemistry of materials 10, 1875 (1998). http://doi.org/10.1021/cm9800377
Abstract: The crystal structure of BiSr8-xCa3+xO22 has been determined by single-crystal X-ray diffraction. This phase is the same as Bi9Sr11Ca5Oy that was previously studied by several authors as a secondary phase in the Bi-Sr-Ca-Cu-O system and coexists in thermodynamic equilibrium with the superconductors Bi2Sr2CuO6 and Bi2Sr2CaCu2O8 It crystallizes in the monoclinic space group P2(1)/c, with cell parameters a 11.037(3) Angstrom, b = 5.971(2) Angstrom, c = 19.703(7) Angstrom, beta = 101.46(3)degrees Z = 2. The structure was solved by direct methods and full-matrix least-squares refinement. It is built up by perovskite-related blocks of composition [Sr8-xBi2Ca3+xO16] that intergrow with double rows [Bi4O6] running along b. The perovskite blocks are formed by groups of five octahedra that are shifted from each other 3/2 root 2a(p) along [110](p) (a(p) being the parameter of the cubic perovskite subcell) in a zigzag configuration and are aligned with this direction parallel to the one forming an angle of 25" with the c axis. In turn, the perovskite blocks [Sr8-xBi2Ca3+xO16] are shifted from each other 1/2 of both a(p) and root 2a(p) along [100](p) and [110](p), respectively. In the double rows, two trivalent bismuth atoms are placed, forming dimeric anion complexes [Bi2O6].(6-).6- The oxygen atoms around bismuth in these dimers are placed in the vertexes of a distorted trigonal bipyramid, with one vacant position that would be occupied by the lone pairs characteristic for the electronic configuration of Bi(III). The B sites in the perovskite blocks are occupied by pentavalent bismuth atoms and calcium atoms; the remaining Sr and Ca ions occupy the A sites of the perovskite blocks with coordination numbers with oxygen ranging from 10 to 12. The mean valence for Bi is +3.67 [33.3% of Bi(V) and 66.7% of Bi(III)]. The oxygen vacancies are located in the boundaries between domains having the two possible configurations of the perovskite subcell as in the anionic superconductor Bi3BaO5.5. The oxidation of Bi6Sr8-xCa3+xO22 at 650 degrees C allows the complete filling of the oxygen vacancies to form the double perovskite (Sr2-xCax)Bi1.4Ca0.6O6 that shows 92.5% of bismuth in +5 oxidation state. The experimental high-resolution electon microscopy image and the electron diffraction pattern of powder samples along the [010]* zone axis are in good agreement with those calculated from the structural model obtained by single-crystal X-ray diffraction. The material is almost free of defects and the occurrence of planar defects is very exceptional.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 6
DOI: 10.1021/cm9800377
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“The crystal structure of Ca3ReO6”. Abakumov AM, Shpanchenko RV, Antipov EV, Lebedev OI, Van Tendeloo G, Journal of solid state chemistry 131, 305 (1997)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 10
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“Crystal structure of the double Hg-layer copper oxide superconductor (Hg, Pr)2Ba2(Y, Ca)Cu2O8-\delta as a function of doping”. Radaelli PG, Marezio M, Tholence JL, de Brion S, Santoro A, Huang Q, Capponi JJ, Chaillout C, Krekels T, Van Tendeloo G, The journal of physics and chemistry of solids 56, 1471 (1995)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.853
Times cited: 16
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“Crystal-structure of the double-hg-layer copper-oxide superconductor (Hg,Pr)2Ba2(Y,Ca)Cu2O8-\deltaas a function of doping”. Radaelli PG, Marezio M, Tholence JL, Debrion S, Santoro A, Huang Q, Capponi JJ, Chaillout C, Krekels T, Van Tendeloo G, The journal of physics and chemistry of solids 56, 1471 (1995). http://doi.org/10.1016/0022-3697(95)00084-4
Abstract: The crystal structure of the newly discovered double-Hg-layer copper oxide superconductor (Hg, Pr)(2)Ba-2(Y, Ca)Cu2O8-delta was studied as a function of chemical doping using neutron and electron diffraction and high-resolution transmission electron microscopy (HREM). Rietveld refinements of the structural parameters from neutron powder diffraction data indicate that the oxygen site O3 on the mercury plane is highly defective, being both partially occupied and displaced from the high-symmetry position. The variable concentration of oxygen vacancies partially compensates for the cation doping and, together with the O3 displacement field, makes some of the Hg atoms acquire an unusual pyramidal coordination. HREM images confirm that the structure is of the '2212' type, with very few defects. In some grains, faint superstructure reflections were evidenced by electron diffraction, suggesting that both the oxygen vacancies and the O3 displacement field may order at least on a local scale.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.853
Times cited: 16
DOI: 10.1016/0022-3697(95)00084-4
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“Crystal structure, polymorphism, and properties of the new vanadyl phosphate Na4VO(PO4)2”. Panin RV, Shpanchenko RV, Mironov AV, Velikodny YA, Antipov EV, Hadermann J, Tarnopolsky VA, Yaroslavtsev AB, Kaul EE, Geibel C, Chemistry of materials 16, 1048 (2004). http://doi.org/10.1021/cm0351543
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 11
DOI: 10.1021/cm0351543
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“Crystal structures of polymerized fullerides AC60, A=K, Rb, Cs, and alkali-mediated interactions”. Verberck B, Michel KH, Nikolaev AV, The journal of chemical physics 116, 10462 (2002). http://doi.org/10.1063/1.1475745
Abstract: Starting from a model of rigid interacting C-60 polymer chains on an orthorhombic lattice, we study the mutual orientation of the chains and the stability of the crystalline structures Pmnn and I2/m. We take into account (i) van der Waals interactions and electric quadrupole interactions between C-60 monomers on different chains as well as (ii) interactions of the monomers with the surrounding alkali atoms. The direct interactions (i) always lead to an antiferrorotational structure Pmnn with alternate orientation of the C-60 chains in planes (001). The interactions (ii) with the alkalis consist of two parts: translation-rotation (TR) coupling where the orientations of the chains interact with displacements of the alkalis, and quadrupolar electronic polarizability (ep) coupling, where the electric quadrupoles on the C-60 monomers interact with induced quadrupoles due to excited electronic d-states of the alkalis. Both interactions (ii) lead to an effective orientation-orientation interaction between the C-60 chains and always favor the ferrorotational structure I2/m, where C-60 chains have a same orientation. The structures Pmnn for KC60 and I2/m for Rb- and CsC60 are the result of a competition between the direct interaction (i) and the alkali-mediated interactions (ii). In Rb- and CsC60 the latter are found to be dominant, the preponderant role being played by the quadrupolar electronic polarizability of the alkali ions. (C) 2002 American Institute of Physics.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.965
Times cited: 12
DOI: 10.1063/1.1475745
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“Crystallographic and magnetic characterisation of the brownmillerite Sr2Co2O5”. Sullivan E, Hadermann J, Greaves C, Journal of solid state chemistry 184, 649 (2011). http://doi.org/10.1016/j.jssc.2011.01.026
Abstract: Sr2Co2O5 with the perovskite-related brownmillerite structure has been synthesised via quenching, with the orthorhombic unit cell parameters a=5.4639(3) Å, b=15.6486(8) Å and c=5.5667(3) Å based on refinement of neutron powder diffraction data collected at 4 K. Electron microscopy revealed LRLR-intralayer ordering of chain orientations, which require a doubling of the unit cell along the c-parameter, consistent with the assignment of the space group Pcmb. However, on the length scale pertinent to NPD, no long-range order is observed and the disordered space group Imma appears more appropriate. The magnetic structure corresponds to G-type order with a moment of 3.00(4) μB directed along [1 0 0].
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 19
DOI: 10.1016/j.jssc.2011.01.026
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“Crystallographic and magnetic structures of Y0.8Sr2.2Mn2GaO8-\delta: a new vacancy-ordered perovskite structure”. Gillie LJ, Palmer HM, Wright AJ, Hadermann J, Van Tendeloo G, Greaves C, The journal of physics and chemistry of solids 65, 87 (2004). http://doi.org/10.1016/j.jpcs.2003.08.012
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.059
Times cited: 15
DOI: 10.1016/j.jpcs.2003.08.012
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“Defect structure of the low temperature α-cristobalite phase and the cristobalite <->, tridymite transformation in (Si-Ge)O2”. Lemmens H, Czank M, Van Tendeloo G, Amelinckx S, Physics and chemistry of minerals 27, 386 (2000). http://doi.org/10.1007/s002699900082
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.521
Times cited: 5
DOI: 10.1007/s002699900082
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“Defects and phase transformation in monclinic natural hollandite: BaxMn8O16”. Nistor LC, Van Tendeloo G, Amelinckx S, Journal of solid state chemistry 109, 152 (1994)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.133
Times cited: 13
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“Defects and phase transition in monoclinic natural hollandite : BaxMn8O16”. Nistor LC, Van Tendeloo G, Amelinckx S, Journal of solid state chemistry 109, 152 (1994). http://doi.org/10.1006/jssc.1994.1085
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.133
Times cited: 13
DOI: 10.1006/jssc.1994.1085
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“Design and development of a new program for data processing of mass spectra acquired by means of a high-resolution double-focusing glow-discharge mass spectrometer”. Robben J, Dufour D, Gijbels R, Fresenius' journal of analytical chemistry 370, 663 (2001). http://doi.org/10.1007/s002160100881
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Times cited: 2
DOI: 10.1007/s002160100881
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“Design and synthesis of hierarchical materials from ordered zeolitic building units”. Kirschhock CEA, Kremer SPB, Vermant J, Van Tendeloo G, Jacobs PA, Martens JA, Chemistry: a European journal 11, 4306 (2005). http://doi.org/10.1002/chem.200401329
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 5.317
Times cited: 93
DOI: 10.1002/chem.200401329
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“Design of new electrode materials for Li-ion and Na-ion batteries from the bloedite mineral Na2Mg(SO4)2\cdot4H2O”. Reynaud M, Rousse G, Abakumov AM, Sougrati MT, Van Tendeloo G, Chotard J-N, Tarascon J-M, Journal of materials chemistry A : materials for energy and sustainability 2, 2671 (2014). http://doi.org/10.1039/c3ta13648e
Abstract: Mineralogy offers a large database to search for Li- or Na-based compounds having suitable structural features for acting as electrode materials, LiFePO4 being one example. Here we further explore this avenue and report on the electrochemical properties of the bloedite type compounds Na2M(SO4)(2)center dot 4H(2)O (M = Mg, Fe, Co, Ni, Zn) and their dehydrated phases Na2M(SO4)(2) (M = Fe, Co), whose structures have been solved via complementary synchrotron X-ray diffraction, neutron powder diffraction and transmission electron microscopy. Among these compounds, the hydrated and anhydrous iron-based phases show electrochemical activity with the reversible release/uptake of 1 Na+ or 1 Li+ at high voltages of similar to 3.3 V vs. Na+/Na-0 and similar to 3.6 V vs. Li+/Li-0, respectively. Although the reversible capacities remain lower than 100 mA h g(-1), we hope this work will stress further the importance of mineralogy as a source of inspiration for designing eco-efficient electrode materials.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 8.867
Times cited: 56
DOI: 10.1039/c3ta13648e
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“The determination of the interface structure between ionocovalent compounds: the general case study of the Al2O3/ZrO2 large mis-fit system”. Trolliard G, Benmechta R, Mercurio D, Lebedev OI, Journal of materials chemistry 16, 3640 (2006). http://doi.org/10.1039/b604232e
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 6
DOI: 10.1039/b604232e
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“Disappearance of magnetophonon resonance at high magnetic fields in GaAs-GaAlAs heterojunctions”. Leadley DR, Nicholas RJ, Singleton J, Xu W, Peeters FM, Devreese JT, van Bockstal L, Herlach F, Perenboom JAAJ, Harris JJ, Foxon CT, Surface science : a journal devoted to the physics and chemistry of interfaces 305, 327 (1994). http://doi.org/10.1016/0039-6028(94)90910-5
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 1.925
Times cited: 1
DOI: 10.1016/0039-6028(94)90910-5
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“Double modulation and microstructure of the thermoelectric misfit compound \left[Ca2-yLnyCu0.7+yCo1.3-yO4\right]\left[CoO2\right]b_{1/b2} (Ln = Pr, Y and 0\leq y\leq1/3)”. Créon N, Pérez O, Hadermann J, Klein Y, Hébert S, Hervieu M, Raveau B, Chemistry of materials 18, 5355 (2006). http://doi.org/10.1021/cm061163a
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 6
DOI: 10.1021/cm061163a
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“Effect of binder content in Cu-In-Se precursor ink on the physical and electrical properties of printed CuInSe2 solar cells”. Buffière M, Zaghi AE, Lenaers N, Batuk M, Khelifi S, Drijkoningen J, Hamon J, Stesmans A, Kepa J, Afanas’ev VV, Hadermann J, D’Haen J, Manca J, Vleugels J, Meuris M, Poortmans J;, The journal of physical chemistry: C : nanomaterials and interfaces 118, 27201 (2014). http://doi.org/10.1021/jp507209h
Abstract: Printed chalcopyrite thin films have attracted considerable attention in recent years due to their potential in the high-throughput production of photovoltaic devices. To improve the homogeneity of printed CuInSe2 (CISe) layers, chemical additives such as binder can be added to the precursor ink. In this contribution, we investigate the influence of the dicyandiamide (DCDA) content, used as a binder in the precursor ink, on the physical and electrical properties of printed CISe solar cells. It is shown that the use of the binder leads to a dense absorber, composed of large CISe grains close to the surface, while the bulk of the layer consists of CISe crystallites embedded in a CuxS particle based matrix, resulting from the limited sintering of the precursor in this region. The expected additional carbon contamination of the CISe layer due to the addition of the binder appears to be limited, and the optical properties of the CISe layer are similar to the reference sample without additive. The electrical characterization of the corresponding CISe/CdS solar cells shows a degradation of the efficiency of the devices, due to a modification in the predominant recombination mechanisms and a limitation of the space charge region width when using the binder; both effects could be explained by the inhomogeneity of the bulk of the CISe absorber and high defect density at the CISe/CuxS-based matrix interface.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 4.536
Times cited: 4
DOI: 10.1021/jp507209h
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