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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Confined Ni-In intermetallic alloy nanocatalyst with excellent coking resistance for methane dry reforming

Carbon dioxide and methane are two main greenhouse gases which are contributed to serious global warming. Fortunately, dry reforming of methane (DRM), a very important reaction developed decades ago, can convert these two major greenhouse gases into value-added syngas or hydrogen. The main problem retarding its industrialization is the seriously coking formation upon the nickel-based catalysts. Herein, a series of confined indium-nickel (In-Ni) intermetallic alloy nanocatalysts (In x Ni@SiO 2 ) have been prepared and displayed superior coking resistance for DRM reaction. The sample containing 0.5 wt.% of In loading (In 0.5 Ni@SiO 2 ) shows the best balance of carbon deposition resistance and DRM reactivity even after 430 h long term stability test. The boosted carbon resistance can be ascribed to the confinement of core–shell structure and to the transfer of electrons from Indium to Nickel in In-Ni intermetallic alloys due to the smaller electronegativity of In. Additionally, both the silica shell and the increase of electron cloud density on metallic Ni can weaken the ability of Ni to activate C–H bond and decrease the deep cracking process of methane. The reaction over the confined InNi intermetallic alloy nanocatalyst was conformed to the Langmuir-Hinshelwood (L-H) mechanism revealed by in situ diffuse reflectance infrared Fourier transform spectroscopy (in-situ DRIFTS). This work provides a guidance to design high performance coking resistance catalysts for methane dry reforming to efficiently utilize these two main greenhouse gases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Materials Data on InNi by Materials Project

NiIn crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ni is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All Ni–Ni bond lengths are 2.64 Å. There are two shorter (2.64 Å) and four longer (2.66 Å) Ni–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a hexagonal planar geometry to six equivalent Ni atoms. In the second In site, In is bonded in a 9-coordinate geometry to six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InNi by Materials Project

NiIn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ni–In bond lengths are 2.73 Å. In is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InNi2 by Materials Project

Ni2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to eight Ni and six equivalent In atoms. There are two shorter (2.63 Å) and six longer (2.81 Å) Ni–Ni bond lengths. All Ni–In bond lengths are 2.81 Å. In the second Ni site, Ni is bonded to six equivalent Ni and five equivalent In atoms to form a mixture of distorted corner and face-sharing NiIn5Ni6 trigonal bipyramids. There are three shorter (2.49 Å) and two longer (2.63 Å) Ni–In bond lengths. In is bonded in a 11-coordinate geometry to eleven Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InNi3 by Materials Project

Ni3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded to eight equivalent Ni and four equivalent In atoms to form NiIn4Ni8 cuboctahedra that share corners with twelve equivalent NiIn4Ni8 cuboctahedra, edges with eight equivalent InNi12 cuboctahedra, edges with sixteen equivalent NiIn4Ni8 cuboctahedra, faces with four equivalent InNi12 cuboctahedra, and faces with fourteen equivalent NiIn4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.64 Å. All Ni–In bond lengths are 2.64 Å. In is bonded to twelve equivalent Ni atoms to form InNi12 cuboctahedra that share corners with twelve equivalent InNi12 cuboctahedra, edges with twenty-four equivalent NiIn4Ni8 cuboctahedra, faces with six equivalent InNi12 cuboctahedra, and faces with twelve equivalent NiIn4Ni8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In9Ni13 by Materials Project

Ni13In9 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Ni13In9 sheet oriented in the (1, 1, -2) direction. there are thirteen inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Ni and two In atoms. The Ni–Ni bond length is 2.03 Å. There is one shorter (1.48 Å) and one longer (1.81 Å) Ni–In bond length. In the second Ni site, Ni is bonded in a square co-planar geometry to two Ni and two In atoms. There is one shorter (1.88 Å) and one longer (1.90 Å) Ni–Ni bond length. There are one shorter (2.00 Å) and one longer (2.01 Å) Ni–In bond lengths. In the third Ni site, Ni is bonded in a 1-coordinate geometry to two Ni and one In atom. The Ni–Ni bond length is 1.98 Å. The Ni–In bond length is 1.67 Å. In the fourth Ni site, Ni is bonded in a 1-coordinate geometry to two Ni and one In atom. There is one shorter (1.88 Å) and one longer (2.05 Å) Ni–Ni bond length. The Ni–In bond length is 1.69 Å. In the fifth Ni site, Ni is bonded in a 1-coordinate geometry to two Ni and one In atom. The Ni–Ni bond length is 2.01 Å. The Ni–In bond length is 1.66 Å. In the sixth Ni site, Ni is bonded in a 3-coordinate geometry to one Ni and two In atoms. There is one shorter (1.93 Å) and one longer (1.96 Å) Ni–In bond length. In the seventh Ni site, Ni is bonded in a 4-coordinate geometry to two Ni and two In atoms. The Ni–Ni bond length is 2.01 Å. There is one shorter (1.96 Å) and one longer (2.01 Å) Ni–In bond length. In the eighth Ni site, Ni is bonded in a 1-coordinate geometry to two Ni and one In atom. The Ni–Ni bond length is 1.90 Å. The Ni–In bond length is 1.71 Å. In the ninth Ni site, Ni is bonded in a 4-coordinate geometry to two Ni and two In atoms. The Ni–Ni bond length is 2.00 Å. There is one shorter (1.99 Å) and one longer (2.00 Å) Ni–In bond length. In the tenth Ni site, Ni is bonded in a 2-coordinate geometry to one Ni and two In atoms. There is one shorter (1.48 Å) and one longer (1.84 Å) Ni–In bond length. In the eleventh Ni site, Ni is bonded in a 2-coordinate geometry to one Ni and two In atoms. There is one shorter (1.92 Å) and one longer (1.99 Å) Ni–In bond length. In the twelfth Ni site, Ni is bonded in a rectangular see-saw-like geometry to two Ni and two In atoms. Both Ni–In bond lengths are 2.02 Å. In the thirteenth Ni site, Ni is bonded in a linear geometry to two In atoms. Both Ni–In bond lengths are 1.91 Å. There are nine inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three Ni atoms. In the second In site, In is bonded in a 3-coordinate geometry to three Ni atoms. In the third In site, In is bonded in a 3-coordinate geometry to three Ni atoms. In the fourth In site, In is bonded in a 1-coordinate geometry to one Ni atom. In the fifth In site, In is bonded in a 3-coordinate geometry to three Ni atoms. In the sixth In site, In is bonded in a distorted linear geometry to two Ni atoms. In the seventh In site, In is bonded in a 3-coordinate geometry to three Ni atoms. In the eighth In site, In is bonded in a 1-coordinate geometry to one Ni atom. In the ninth In site, In is bonded in a distorted trigonal non-coplanar geometry to three Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In3Ni by Materials Project

NiIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded to twelve equivalent In atoms to form NiIn12 cuboctahedra that share corners with twelve equivalent NiIn12 cuboctahedra, edges with twenty-four equivalent InIn8Ni4 cuboctahedra, faces with six equivalent NiIn12 cuboctahedra, and faces with twelve equivalent InIn8Ni4 cuboctahedra. All Ni–In bond lengths are 3.13 Å. In is bonded to four equivalent Ni and eight equivalent In atoms to form InIn8Ni4 cuboctahedra that share corners with twelve equivalent InIn8Ni4 cuboctahedra, edges with eight equivalent NiIn12 cuboctahedra, edges with sixteen equivalent InIn8Ni4 cuboctahedra, faces with four equivalent NiIn12 cuboctahedra, and faces with fourteen equivalent InIn8Ni4 cuboctahedra. All In–In bond lengths are 3.13 Å.

36 MATERIALS SCIENCE↗