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At least 559 records · Page 31

Materials Data on CO by Materials Project

CO is alpha carbon monoxide-like structured and crystallizes in the trigonal R3c space group. The structure is zero-dimensional and consists of twenty-four formaldehyde molecules. C2+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.14 Å. O2- is bonded in a single-bond geometry to one C2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on ReC5IO5 by Materials Project

ReI(CO)5 is alpha carbon monoxide-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of twenty formaldehyde molecules and four iodorhenium molecules.

36 MATERIALS SCIENCE↗

Materials Data on RhC2ClO2 by Materials Project

RhC2O2Cl is Theoretical Carbon Structure structured and crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of eight RhC2O2Cl clusters. Rh3+ is bonded in a rectangular see-saw-like geometry to two C1+ and two equivalent Cl1- atoms. Both Rh–C bond lengths are 1.85 Å. There are one shorter (2.40 Å) and one longer (2.41 Å) Rh–Cl bond lengths. There are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. Cl1- is bonded in an L-shaped geometry to two equivalent Rh3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on CO by Materials Project

CO is alpha carbon monoxide-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four formaldehyde molecules. C2+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.22 Å. O2- is bonded in a single-bond geometry to one C2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on HI by Materials Project

HI1 is alpha carbon monoxide-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of sixteen hydriodic acid molecules. H1+ is bonded in a single-bond geometry to one I1- atom. The H–I bond length is 1.64 Å. I1- is bonded in a single-bond geometry to one H1+ atom.

36 MATERIALS SCIENCE↗

Materials Data on H8C2S3(NO3)2 by Materials Project

C2H8S3(NO3)2 is Theoretical Carbon Structure-like structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of four ~{n}-(methylsulfonylsulfamoyl)methanesulfonamide molecules.

36 MATERIALS SCIENCE↗

Materials Data on H(C3N2)4 by Materials Project

(C3N2)8H2 is alpha carbon monoxide-like structured and crystallizes in the tetragonal P4mm space group. The structure is zero-dimensional and consists of one hydrogen molecule and one C3N2 cluster. In the C3N2 cluster, C+1.92+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.44 Å. N3- is bonded in a trigonal planar geometry to three equivalent C+1.92+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Si12HN8 by Materials Project

(Si3N2)8H2 is alpha carbon monoxide-like structured and crystallizes in the tetragonal P4mm space group. The structure is zero-dimensional and consists of one hydrogen molecule and one Si3N2 cluster. In the Si3N2 cluster, there are three inequivalent Si2+ sites. In the first Si2+ site, Si2+ is bonded in a bent 120 degrees geometry to two equivalent N+2.88- atoms. Both Si–N bond lengths are 1.76 Å. In the second Si2+ site, Si2+ is bonded in a bent 120 degrees geometry to two equivalent N+2.88- atoms. Both Si–N bond lengths are 1.77 Å. In the third Si2+ site, Si2+ is bonded in a bent 120 degrees geometry to two N+2.88- atoms. Both Si–N bond lengths are 1.76 Å. There are two inequivalent N+2.88- sites. In the first N+2.88- site, N+2.88- is bonded in a trigonal planar geometry to three Si2+ atoms. In the second N+2.88- site, N+2.88- is bonded in a trigonal planar geometry to three Si2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on GeH4 by Materials Project

GeH4 is alpha carbon monoxide-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four germanium molecules and eight hydrogen molecules.

36 MATERIALS SCIENCE↗

Materials Data on IrWN5ClO4 by Materials Project

WIrN5O4Cl is Theoretical Carbon Structure-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four WIrN5O4Cl clusters. W6+ is bonded in a 5-coordinate geometry to four O2- and one Cl1- atom. There are two shorter (1.75 Å) and two longer (2.38 Å) W–O bond lengths. The W–Cl bond length is 2.54 Å. Ir4+ is bonded in a distorted trigonal non-coplanar geometry to three N+0.20- and one Cl1- atom. There is two shorter (1.75 Å) and one longer (1.76 Å) Ir–N bond length. The Ir–Cl bond length is 2.53 Å. There are three inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a single-bond geometry to one Ir4+ atom. In the second N+0.20- site, N+0.20- is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.19 Å. In the third N+0.20- site, N+0.20- is bonded in a distorted single-bond geometry to one Ir4+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one W6+ and one N+0.20- atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ atom. Cl1- is bonded in a bent 120 degrees geometry to one W6+ and one Ir4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on K2HS2NO6 by Materials Project

(KSO3)2NH is alpha carbon monoxide-like structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of two ammonia molecules and two KSO3 clusters. In each KSO3 cluster, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.73 Å) and one longer (2.85 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.77 Å) and one longer (2.79 Å) K–O bond lengths. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.48 Å. In the second S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.48 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on CaC2 by Materials Project

CaC2 is alpha carbon monoxide-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two ethyne molecules and four methylidenecalcium molecules.

36 MATERIALS SCIENCE↗

Materials Data on ClO3 by Materials Project

ClO3 is alpha carbon monoxide-like structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules and four hypochlorous acid molecules.

36 MATERIALS SCIENCE↗

Materials Data on AgI by Materials Project

AgI is alpha carbon monoxide-like structured and crystallizes in the hexagonal P6mm space group. The structure is zero-dimensional and consists of one silver iodide molecule. Ag1+ is bonded in a single-bond geometry to one I1- atom. The Ag–I bond length is 2.56 Å. I1- is bonded in a single-bond geometry to one Ag1+ atom.

36 MATERIALS SCIENCE↗

The Co-Firing of Pine Biomass and Waste Coal in 100 and 600 MW Power Plants: A Sustainable Approach to Reduce GHG Emissions

Climate change is a global issue that has gained much attention recently. Co-firing biomass with coal/waste coal reduces the electricity sector’s GHG emissions sustainably. This study uses commercial software to model waste coal and biomass co-firing in 100 MW and 600 MW power plants. The objective is to assess the effects of fluid types (subcritical and supercritical), plant capacities (100 MW and 600 MW), boiler types (pulverized coal and circulating fluidized bed boilers), biomass and waste coal co-firing ratios (0:100, 20:80, 40:60, 60:40, 80:20, and 100:0), and carbon capture and storage efficiencies (0%, 90%, 95%, and 97%) on performance parameters such as net plant efficiency, heat rate, net plant CO2 and SO2, and particulate matter emissions. The feedstocks selected for this investigation include anthracite waste coal and loblolly pine biomass. As the biomass fraction increases from 0% to 100%, co-fired power plants net efficiency increases by 3–8%. Supercritical plants had a 6% higher net plant efficiency than the subcritical plants. The study found that the biomass’s high heating value decreased the fuel flow rate and reduced plant CO2 emissions by 10–16%. With 100% biomass power plant feed and 90% carbon capture and storage efficiency, CO2 emissions drop by 83% and SO2 and PM emissions drop to zero.

Bhoi, Prakashbhai R. (ORCID:0000000333104888)↗

A Mesoscale Analysis of Column-Integrated Aerosol Properties in Northern India During the TIGERZ 2008 Pre-Monsoon Period and a Comparison to MODIS Retrievals

The Indo-Gangetic Plain (IGP) of the northern Indian subcontinent produces anthropogenic pollution from urban, industrial and rural combustion sources nearly continuously and is affected by convection-induced winds driving desert and alluvial dust into the atmosphere during the premonsoon period. Within the IGP, the NASA Aerosol Robotic Network (AERONET) project initiated the TIGERZ measurement campaign in May 2008 with an intensive operational period from May 1 to June 23, 2008. Mesoscale spatial variability of aerosol optical depth (AOD, tau) measurements at 500mn was assessed at sites around Kanpur, India, with averages ranging from 0.31 to 0.89 for spatial variability study (SVS) deployments. Sites located downwind from the city of Kanpur indicated slightly higher average aerosol optical depth (delta Tau(sub 500)=0.03-0.09). In addition, SVS AOD area-averages were compared to the long-tenn Kanpur AERONET site data: Four SVS area-averages were within +/- 1 cr of the climatological mean of the Kanpur site, while one SVS was within 2sigma below climatology. For a SVS case using AERONET inversions, the 440-870mn Angstrom exponent of approximately 0.38, the 440-870mn absorption Angstrom exponent (AAE) of 1.15-1.53, and the sphericity parameter near zero suggested the occurrence of large, strongly absorbing, non-spherical aerosols over Kanpur (e.g., mixed black carbon and dust) as well as stronger absorption downwind of Kanpur. Furthermore, the 3km and lOkm Terra and Aqua MODIS C005 aerosol retrieval algorithms at tau(sub 550) were compared to the TIGERZ data set. Although MODIS retrievals at higher quality levels were comparable to the MODIS retrieval uncertainty, the total number of MODIS matchups (N) were reduced with subsequent quality levels (N=25, QA>=0; N=9,QA>=l; N=6, QA>=2; N=1, QA=3) over Kanpur during the premonsoon primarily due to the semi-bright surface, complex aerosol mixture and cloud-contaminated pixels. The TIGERZ 2008 data set provided a unique opportunity to measure the spatial and temporal variations of aerosol loading in the IGP. The strong aerosol absorption derived from ground-based sun/sky radiometer measurements suggested the presence of a predominately black carbon and dust mixture during the pre-monsoon period. Consistent with the elevated heat-pump hypothesis, these absorbing aerosols found across Kanpur and the greater IGP region during the pre-monsoon period likely induced regional atmospheric warming, which lead to a more rapid advance of the southwest Asian monsoon and above normal precipitation over northern India in June 2008.

Giles, D. M.↗

Implementing Zero Energy Design with the U.S. Department of Energy Solar Decathlon

The U.S. Department of Energy Solar Decathlon® Design Challenge is a collegiate competition that challenges student teams to design high performance buildings that push the boundaries of the industry. In the 2020 competition, DOE is piloting Design Partners, a low-risk opportunity for builders and building owners to harness student innovation and explore zero energy design for current or upcoming projects. Design Partners provide a student team of architects and engineers with project requirements. By the end of the Challenge, Design Partners receive a zero energy alternative and cost estimate for their project. The collaboration allows Design Partners to incorporate innovative concepts such as grid-interactivity, resilience, and low embodied carbon in a low-risk environment and provides the future generation of engineers and architects with invaluable experience designing a building for a client under real-world circumstances. Attendees will leave understanding the “perfect storm” of policy, technology, health, and economic trends that make zero energy buildings desirable and feasible and the value of the U.S. DOE Solar Decathlon to industry. They will also get a sneak peek at innovative solutions 2020 Design Partner pilot projects are bringing to the building industry and how becoming a Design Partner in 2021 could benefit their organization.

30 DIRECT ENERGY CONVERSION↗

Scalable electrified cementitious materials production and recycling

The production of Portland cement, the industry-standard cement, contributes ~8% of global CO 2 emissions through fossil-fuel heating and decomposition of limestone (the primary cement raw material). Decarbonization, e.g., via direct electrification, of this 200-year-old liming routine is extremely challenging at the industry scale. We propose a scalable electrochemical decarbonization approach to circumvent the limestone use by switching to carbon-free calcium silicates from abundant minerals and recycled concrete. Water electrolysis produces protons and hydroxides to drive a pH gradient that accelerates Ca 2+ ion leaching from calcium silicates and captures atmospheric CO 2 to form carbon-negative CaCO 3 , which serves as the feedstock for cement manufacturing or as the carbon-mineralized product for cement substitution with permanent carbon storage. Value-added co-products amorphous silica and green H 2 further enhance cement performance and supplant fossil fuels for net-zero transition, respectively. The products readily meet present-day regulatory standards and demands, and the approach readily synergizes with business-as-usual cement manufacturing and concrete construction, which are important for upscaling and structural safety, promising ready reception by the public and industries. Blended Portland cement produced through our approach with carbon-negative CaCO 3 and silica demonstrates enhanced resilience and achieves carbon neutrality or negativity when incorporating storage or circulation of CO 2 from cement plant flue gas, respectively. This low-cost, electrochemical cement production approach using abundant ubiquitous raw materials enables electrification, transition to clean fuel, and decarbonization at a gigaton scale.

36 MATERIALS SCIENCE↗