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At least 235 records · Page 13

Materials Data on NdGa2Pt3 by Materials Project

NdPt3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd2+ is bonded to twelve equivalent Pt2- atoms to form a mixture of edge, corner, and face-sharing NdPt12 cuboctahedra. All Nd–Pt bond lengths are 3.47 Å. Pt2- is bonded in a 12-coordinate geometry to four equivalent Nd2+ and four equivalent Ga2+ atoms. All Pt–Ga bond lengths are 2.60 Å. Ga2+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗

Materials Data on LaGa2Pt3 by Materials Project

LaPt3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La2+ is bonded to twelve equivalent Pt2- atoms to form a mixture of edge, face, and corner-sharing LaPt12 cuboctahedra. All La–Pt bond lengths are 3.48 Å. Pt2- is bonded in a 12-coordinate geometry to four equivalent La2+ and four equivalent Ga2+ atoms. All Pt–Ga bond lengths are 2.61 Å. Ga2+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗

Materials Data on FeH12Pt(ClO)6 by Materials Project

Fe(H2O)6PtCl6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one iron hexahydrate molecule and one PtCl6 cluster. In the PtCl6 cluster, Pt4+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.34 Å) and four longer (2.36 Å) Pt–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Na2Pt(ClO)6 by Materials Project

Na2Pt(OCl)6 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Na2Pt(OCl)6 sheet oriented in the (-1, 1, 1) direction. Na is bonded in a 5-coordinate geometry to four O and one Cl atom. There are a spread of Na–O bond distances ranging from 2.30–2.99 Å. The Na–Cl bond length is 2.91 Å. Pt is bonded in an octahedral geometry to six Cl atoms. There are four shorter (2.35 Å) and two longer (2.41 Å) Pt–Cl bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.59 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Na and one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to one Pt and one O atom. In the second Cl site, Cl is bonded in a water-like geometry to one Na and one Pt atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Pt atom.

36 MATERIALS SCIENCE↗

Materials Data on Yb3Pt4 by Materials Project

Yb3Pt4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Yb+2.67+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Yb–Pt bond distances ranging from 2.83–3.20 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted octahedral geometry to six equivalent Yb+2.67+ atoms. In the second Pt2- site, Pt2- is bonded in a 7-coordinate geometry to seven equivalent Yb+2.67+ and three equivalent Pt2- atoms. There are one shorter (2.86 Å) and two longer (2.94 Å) Pt–Pt bond lengths. In the third Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six equivalent Yb+2.67+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on NdSbPt by Materials Project

NdPtSb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent Pt2- and six equivalent Sb1- atoms to form a mixture of distorted face and edge-sharing NdSb6Pt6 cuboctahedra. There are three shorter (3.12 Å) and three longer (3.57 Å) Nd–Pt bond lengths. There are three shorter (3.27 Å) and three longer (3.39 Å) Nd–Sb bond lengths. Pt2- is bonded in a 6-coordinate geometry to six equivalent Nd3+ and three equivalent Sb1- atoms. All Pt–Sb bond lengths are 2.69 Å. Sb1- is bonded in a 9-coordinate geometry to six equivalent Nd3+ and three equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗

Materials Data on TePtSe by Materials Project

PtSeTe crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Pt4+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form edge-sharing PtTe3Se3 octahedra. All Pt–Te bond lengths are 2.67 Å. All Pt–Se bond lengths are 2.61 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Pt4+ and three equivalent Se2- atoms. All Te–Se bond lengths are 3.49 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent Pt4+ and three equivalent Te2- atoms.

36 MATERIALS SCIENCE↗

Late Chondritic Additions and Planet and Planetesimal Growth: Evaluation of Physical and Chemical Mechanisms

Studies of terrestrial peridotite and martian and achondritic meteorites have led to the conclusion that addition of chondritic material to growing planets or planetesimals, after core formation, occurred on Earth, Mars, asteroid 4 Vesta, and the parent body of the angritic meteorites [1-4]. One study even proposed that this was a common process in the final stages of growth [5]. These conclusions are based almost entirely on the highly siderophile elements (HSE; Re, Au, Pt, Pd, Rh, Ru, Ir, Os). The HSE are a group of eight elements that have been used to argue for late accretion of chondritic material to the Earth after core formation was complete (e.g., [6]). This idea was originally proposed because the D(metal/silicate) values for the HSE are so high, yet their concentration in the mantle is too high to be consistent with such high Ds. The HSE also are present in chondritic relative abundances and hence require similar Ds if this is the result of core-mantle equilibration. Since the work of [6] there has been a realization that core formation at high PT conditions can explain the abundances of many siderophile elements in the mantle (e.g., [7]), but such detailed high PT partitioning data are lacking for many of the HSE to evaluate whether such ideas are viable for all four bodies. Consideration of other chemical parameters reveals larger problems that are difficult to overcome, but must be addressed in any scenario which calls on the addition of chondritic material to a reduced mantle. Yet these problems are rarely discussed or emphasized, making the late chondritic (or late veneer) addition hypothesis suspect.

Righter, Kevin↗

Materials Data on SiPt by Materials Project

PtSi is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pt4+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing PtSi6 pentagonal pyramids. There are a spread of Pt–Si bond distances ranging from 2.44–2.67 Å. Si4- is bonded in a 6-coordinate geometry to six equivalent Pt4+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tl2Pt5S6 by Materials Project

Tl2Pt5S6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded to one Tl1+ and four S2- atoms to form distorted PtTlS4 square pyramids that share corners with two equivalent PtTl2S4 octahedra, edges with two equivalent PtTl2S4 octahedra, and edges with two equivalent PtTlS4 square pyramids. The corner-sharing octahedra tilt angles range from 62–65°. The Pt–Tl bond length is 3.16 Å. There are a spread of Pt–S bond distances ranging from 2.33–2.38 Å. In the second Pt2+ site, Pt2+ is bonded to two equivalent Tl1+ and four S2- atoms to form distorted PtTl2S4 octahedra that share corners with two equivalent PtTlS4 square pyramids, edges with two equivalent PtTl2S4 octahedra, and edges with two equivalent PtTlS4 square pyramids. There are one shorter (3.14 Å) and one longer (3.22 Å) Pt–Tl bond lengths. There are a spread of Pt–S bond distances ranging from 2.32–2.39 Å. In the third Pt2+ site, Pt2+ is bonded in a distorted square co-planar geometry to four S2- atoms. There are two shorter (2.34 Å) and two longer (2.40 Å) Pt–S bond lengths. Tl1+ is bonded in a 6-coordinate geometry to three Pt2+ and three S2- atoms. There are a spread of Tl–S bond distances ranging from 3.13–3.39 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three Pt2+ and two equivalent Tl1+ atoms. In the second S2- site, S2- is bonded to four Pt2+ atoms to form distorted corner-sharing SPt4 tetrahedra. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three Pt2+ and one Tl1+ atom.

36 MATERIALS SCIENCE↗

Materials Data on MnPt(CN)6 by Materials Project

MnPt(CN)6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Mn–N bond lengths are 1.94 Å. Pt2- is bonded in an octahedral geometry to six equivalent C3+ atoms. All Pt–C bond lengths are 2.02 Å. C3+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Mn2+ and one C3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on FePt(CN)6 by Materials Project

FePt(CN)6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe3+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Fe–N bond lengths are 1.89 Å. Pt2- is bonded in an octahedral geometry to six equivalent C+2.83+ atoms. All Pt–C bond lengths are 2.02 Å. C+2.83+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a linear geometry to one Fe3+ and one C+2.83+ atom.

36 MATERIALS SCIENCE↗

Materials Data on U3SiPt5 by Materials Project

U3Pt5Si crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent U+4.67+ sites. In the first U+4.67+ site, U+4.67+ is bonded in a 9-coordinate geometry to ten Pt2- and one Si4- atom. There are a spread of U–Pt bond distances ranging from 2.93–3.47 Å. The U–Si bond length is 3.27 Å. In the second U+4.67+ site, U+4.67+ is bonded in a 6-coordinate geometry to seven Pt2- and one Si4- atom. There are a spread of U–Pt bond distances ranging from 2.86–3.30 Å. The U–Si bond length is 2.96 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to five U+4.67+, two equivalent Pt2-, and one Si4- atom. There are one shorter (2.87 Å) and one longer (2.92 Å) Pt–Pt bond lengths. The Pt–Si bond length is 2.54 Å. In the second Pt2- site, Pt2- is bonded in a 11-coordinate geometry to six U+4.67+, four Pt2-, and one Si4- atom. There are one shorter (2.84 Å) and one longer (2.94 Å) Pt–Pt bond lengths. The Pt–Si bond length is 2.55 Å. In the third Pt2- site, Pt2- is bonded in a 5-coordinate geometry to five U+4.67+, two equivalent Pt2-, and two equivalent Si4- atoms. There are one shorter (2.40 Å) and one longer (2.53 Å) Pt–Si bond lengths. Si4- is bonded in a 7-coordinate geometry to three U+4.67+ and six Pt2- atoms.

36 MATERIALS SCIENCE↗

Composite media for non-oxidative ethane dehydrogenation, and related ethane activation systems and method of processing an ethane-containing stream

A composite media for non-oxidative C 2 H 6 dehydrogenation comprises an aluminosilicate zeolite matrix, and an EDH catalyst on one or more of an external surface of the aluminosilicate zeolite matrix and internal surfaces within pores of the aluminosilicate zeolite matrix. The EDH catalyst comprises one or more of Fe, Zn, Pt, Ga, alloys thereof, and oxides thereof. A C 2 H 6 activation system, and a method of processing a C 2 H 6 -containing stream are also described.

Wang, Lucun↗

Optical sensing of aqueous nitrate anion by a platinum( II ) triimine salt based solid state material

Selective and quantitative measurement of aqueous nitrate (NO 3 – ) anion is achieved using solid [Pt(Cl-4-tpy)Cl]ClO 4 salt (Cl-4-tpy = 4-chloro-2,2':6'2''-terpyridine), and as the salt supported on controlled porous glass. This detection method relies on the color change of the Pt(II) complex from yellow to red and intense luminescence response upon ClO 4 – exchange with NO 3 – due to concomitant enhancement of Pt∙∙∙Pt interactions. Finally, the spectroscopic response is highly selective for NO 3 – over a large range of halides and oxoanions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Discovery of single-atom alloy catalysts for CO 2 -to-methanol reaction by density functional theory calculations

The transformations of CO 2 molecules into valuable products are of increasing interest due to the negative impact of anthropogenic CO 2 emissions on global warming. The CO 2 -to-methanol hydrogenation is an economically profitable reaction of carbon fixation, but it still steps away from widespread industrialization because of the lack of efficient and selective catalysts. Recently, single-atom alloy (SAA) catalysts have been developed to work remarkably in CO 2 hydrogenation reactions. Doping isolated single atoms into metallic catalyst can dramatically alter the catalytic performance of the host. Here, we have performed a screening discovery on Ru and 6 RuX (X = Fe, Co, Ni, Cu, Ir and Pt) SAAs using density functional theory (DFT) computations. We considered 13 possible elementary reactions in 4 possible reaction pathways on Ru and all RuX surfaces. In the computed mechanisms, we found that the formation of *H 2 COOH and *HCOO intermediates plays a critical role in determining catalysts’ activities. Doping Co and Pt isolated single atoms into Ru surface can thermodynamically and kinetically facilitate these intermediates formation processes, eventually promoting the production of methanol. The combination of weak binding and enhanced charge redistribution on RuCo and RuPt surfaces give them improved catalytic activities over pure Ru. This work will ultimately facilitate the discovery and development of SAAs for CO 2 to methanol, serving as guidance to experiments and theoreticians alike.

25 ENERGY STORAGE↗

Hierarchical Galloaluminosilicate MFI Catalysts for Ethane Nonoxidative Dehydroaromatization

This study presented an approach to overcome diffusion limitation and imbalance between Brønsted and Lewis acidities that affect conversion and aromatic yield in alkane nonoxidative dehydroaromatization (DHA) conversion. Three different Ga-promoted ZSM-5 catalysts were synthesized for the ethane DHA reaction. The hierarchical galloaluminosilicate Meso-GaZSM-5 was prepared by the solid-state crystallization technique wherein Ga was introduced through the in situ synthesis process. The microporous galloaluminosilicate Micro-GaZSM-5 was synthesized by the hydrothermal technique wherein Ga was introduced in situ during zeolite formation. The hierarchically structured Ga-Meso-ZSM-5 was synthesized by the solid-state crystallization method, but the Ga was introduced by the incipient wetness method. Additional Pt was incorporated by the incipient wetness technique for all three catalysts to enhance the DHA activity. The solid-state crystallization technique created the hierarchical structure without using a template. With the in situ technique, Ga species replaced the Al framework, reducing the strong Brønsted acidity. Meanwhile, they created the extraframework GaO + , introducing the strong Lewis acid sites into catalysts. Due to better synergistic interaction between the oxidation state of metals, acidic properties, and catalyst porosity, Pt-Meso-GaZSM-5 showed higher C 2 H 6 conversion and aromatic selectivity. The improvement on diffusivity not only reduces the effect of channel blockage but also improves the utilization of active sites. As a result, this work sheds light on the direct, nonoxidative conversion of shale gas without going through the syngas route.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗