Account

Table 1 Average CFE for geometrically optimized As₂S_m NFC in As–S system as compared with analogous data for As₂Se_m NFC in As–Se ChG [30] (best CFE are italicized)

From: Network-Forming Nanoclusters in Binary As–S/Se Glasses: From Ab Initio Quantum Chemical Modeling to Experimental Evidences

Nanocluster	Z	E _f , kcal/mol
Nanocluster	Z	Δl = 0	Δl = 1	Δl = 2	Δl = 3	Δl = 4	Δl = 5	Δl = 6
As–Se system
As₂Se₃	2.40	0.31
As₂Se₄	2.33		−0.76
As₂Se₅	2.29		−1.05	−0.95
As₂Se₆	2.25	−2.47			−1.96
As₂Se₇	2.22		−2.10	−2.19		−2.33
As–S system
As₂S₃	2.40	0.004
As₂S₄	2.33		−1.06
As₂S₅	2.29		−0.76	−1.75
As₂S₆	2.25	−1.43			−2.25
As₂S₇	2.22		−1.84	−3.39		−2.64
As₂S₈	2.20		−3.68	−2.46			−3.14
As₂S₉	2.18	−3.57			−2.30 −2.72			−3.34

Back to article page