Observation and dynamic control of a new pathway of H₃⁺ formation

The "Potential Energy Surface" file is the calculated potential energy surface data for D2 dimer (shown in Fig. 1a). The files "1D_Center-of-mass-distance_D2_Dimer" and "2D_Center-of-mass-distance_D2_Dimer" are the simulation trajectories for D2 dimer (shown in Fig. 1b). The data file "D3+_Yields_Delay" shows the calculated yield (without normalization) of D3+ as a function of time delay. We also did the same calculations on H2 dimers, and the data files are "1D_Center-of-mass-distance_H2_Dimer", "2D_Center-of-mass-distance_H2_Dimer", and "H3+_Yields_Delay", respectively. The measured time-of-flight spectrum is in the data file "TOF". The measured photoion-photoion coincidence (PiPiCo) spectrum is in the data file "PIPICO". The measured yields of the three different channels (D3+ + D, D3+ + D+, and D2+ + D2+) are in the data file "yield_3channels".“势能面（Potential Energy Surface）”文件为氘二聚体（D2 dimer）的计算势能面数据，对应图1a。“1D_Center-of-mass-distance_D2_Dimer”与“2D_Center-of-mass-distance_D2_Dimer”文件为氘二聚体（D2 dimer）的模拟轨迹数据，对应图1b。“D3+_Yields_Delay”数据文件展示了D3+的计算产率（未做归一化处理）随时间延迟的变化关系。我们还对氢二聚体（H2 dimer）开展了相同的计算，对应数据文件依次为“1D_Center-of-mass-distance_H2_Dimer”、“2D_Center-of-mass-distance_H2_Dimer”以及“H3+_Yields_Delay”。实测的飞行时间质谱谱（Time-of-flight spectrum，TOF）数据存储于“TOF”文件中。实测的光离子-光离子符合谱（Photoion-photoion coincidence，PiPiCo）数据存储于“PIPICO”文件中。三个不同反应通道（D3+ + D、D3+ + D+以及D2+ + D2+）的实测产率数据存储于“yield_3channels”文件中。