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Using molecular dynamics based on density functional theory, interaction of aspartic acid (C 4 H 7 NO 4 ) with room-temperature thermoelectrics Bi 2 Te 3 , SnSe, MgAgSb, and TiO 2 alloyed with V is investigated. Aspartic acid is a common amino acid in mammals, decorating a cell membrane, and hence relevant for biocompatibility. Ti(0001), Zn(0001), Pd(111), Pb(111), and Cu(111) surfaces are employed...
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