흑연 표면에서의 수소 분자 생성 동역학

초록

We have studied the chiral dynamics of hydrogen molecules produced on a graphite surface through H(g) + H(ad)/C(gr) → H2(g) + C(gr) using a classical trajectory procedure. The recombination reaction efficiently takes place an a subpicosecond time scale with most of the reaction exothermicity depositing in the product vibration. The molecules produced in nearly end-on geometry where H(g) is positioned below H(ad) rotate clockwise and are more highly rotationally excited, but in low-lying vibration levels. The rotational axis of most of the molecule oriented clockwise is greater than 30˚, the intensity peaking at 35˚. The molecules produced when H(ad) is close to the surface rotate counter-clockwise and are weakly rotationally excited, but strongly vibrationally excited. These molecules tend to align their rotational axes parallel to the surface. The number of molecules rotating clockwise is five times larger than of counter-clockwise molecules.