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- W2136505220 abstract "To accelerate the design and discovery of novel functional materials, here, p-type transparent conducting oxides, an inverse design approach is formulated, integrating three steps: i) articulating the target properties and selecting an initial pool of candidates based on “design principles”, ii) screening this initial pool by calculating the “selection metrics” for each member, and iii) laboratory realization and more-detailed theoretical validation of the remaining “best-of-class” materials. Following a design principle that suggests using d55 cations for good p-type conductivity in oxides, the Inverse Design approach is applied to the class of ternary Mn(II) oxides, which are usually considered to be insulating materials. As a result, Cr2MnO4 is identified as an oxide closely following “selection metrics” of thermodynamic stability, wide-gap, p-type dopability, and band-conduction mechanism for holes (no hole self-trapping). Lacking an intrinsic hole-producing acceptor defect, Li is further identified as a suitable dopant. Bulk synthesis of Li-doped Cr2MnO4 exhibits at least five orders of magnitude enhancement of the hole conductivity compared to undoped samples. This novel approach of stating functionality first, then theoretically searching for candidates that merits synthesis and characterization, promises to replace the more traditional non-systematic approach for the discovery of advanced functional materials." @default.
- W2136505220 created "2016-06-24" @default.
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- W2136505220 date "2013-05-15" @default.
- W2136505220 modified "2023-09-29" @default.
- W2136505220 title "Li-Doped Cr<sub>2</sub>MnO<sub>4</sub>: A New p-Type Transparent Conducting Oxide by Computational Materials Design" @default.
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- W2136505220 cites W1966720552 @default.
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- W2136505220 cites W1968513299 @default.
- W2136505220 cites W1970050599 @default.
- W2136505220 cites W1970127494 @default.
- W2136505220 cites W1978399617 @default.
- W2136505220 cites W1979544533 @default.
- W2136505220 cites W1980558583 @default.
- W2136505220 cites W1981368803 @default.
- W2136505220 cites W1986731219 @default.
- W2136505220 cites W1986782142 @default.
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- W2136505220 cites W2028982492 @default.
- W2136505220 cites W2029182033 @default.
- W2136505220 cites W2031055980 @default.
- W2136505220 cites W2036113194 @default.
- W2136505220 cites W2037191034 @default.
- W2136505220 cites W2038357918 @default.
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- W2136505220 cites W2047701626 @default.
- W2136505220 cites W2060013580 @default.
- W2136505220 cites W2060972419 @default.
- W2136505220 cites W2065105379 @default.
- W2136505220 cites W2065382771 @default.
- W2136505220 cites W2066523986 @default.
- W2136505220 cites W2066677295 @default.
- W2136505220 cites W2067155499 @default.
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- W2136505220 cites W2079105963 @default.
- W2136505220 cites W2079560921 @default.
- W2136505220 cites W2085093563 @default.
- W2136505220 cites W2087388196 @default.
- W2136505220 cites W2087698390 @default.
- W2136505220 cites W2088025672 @default.
- W2136505220 cites W2091873752 @default.
- W2136505220 cites W2096068886 @default.
- W2136505220 cites W2099818819 @default.
- W2136505220 cites W2108650581 @default.
- W2136505220 cites W2109475060 @default.
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- W2136505220 doi "https://doi.org/10.1002/adfm.201300807" @default.
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