“…The four conformers A , A′ , P , and M can therefore be symbolically represented as (+, + ), (− – ), (+ – ), and (− + ), respectively (Figure e). Previous studies , has shown that the ground state of a free DBC molecule is the chiral conformer P or M , and the energy of the achiral conformer A ( A′ ) is much higher, which is confirmed by our calculations based on density functional theory (DFT). However, the energy diagram changes dramatically when the DBC molecules are deposited on Cu(111) surface, as indicated by our calculations (Supporting Information, Figure S1).…”