In Fig. 4(a) for the as-prepared film, there are bright streaks along several weak rings indicating highly textured crystal domains with preferential orientations. Especially, the rsvoCbpeirfHspiowigobt3heNrlaetatteH,ekqswdt3zpI h≈bseatiyrrcn 1oehYd0vaa isknPsnkmblngiotCo−...
It must be noted that on comparison with the long carbon chain based organic (BA), the cyclic group organic (CH) has shown strong, sharp and intense exciton absorbance peak (Supplementary Information Figure S3). In the absorbance spectrum of (CH)2(MA)n−1PbnI3n+1 n = 2–4 thin...
Therefore, non-local density functional, vdW-DF41, was employed to take into account the weak interaction in the system, as implemented in VASP by J. Klimeš et al.42,43. In this method, the exchange-correlation energy takes the form of E xc = ExGGA + EcLDA + Ecnl (2) Here, ...
the weak interatomic bond and the easy rotation of methylammonium (MA) molecules under strain. Both factors make MAPbI3 soft. Rotation of MA molecule induces a transverse shift between Pb and I atoms, resulting in a very low deformation potential and a strong piezoelectricity in MAPbI3. Hence...
The strong 1.629 eV reso- nance is attributed to the free exciton transition, while the weaker resonance at 1.613 eV is attributed to an exciton bound to defects within the perovskite film. From a comparison of the transition energy of each exciton with the band gap energy, we ...
Presumably, this might be related to the presence of weak interactions between the Ag atoms and the NO3 moieties in a direction perpendicular to the P2S plane, which is consistent with the weak coordinating ability of the NO3– ions. Indeed, the Ag···ONO2 distances were found to be ...
Very weak absorption bands for the LS [Fe(qsal)2] cation were calculated in the near-infrared region. This is probably because these absorption bands would originate mainly from forbidden d-d transitions. The observed absorption bands at 904 and 428 nm for 1 can be ascribed to d-d and ...
The allocation of a hydrogen atom between a donor (D) and acceptor (A) moiety, D–H¨ ¨¨ A hydrogen bonding [18] is a particularly well studied and established supramolecular interaction ranging in strength from very weak (~1 kcal/mol) [19] to very strong (~40 kcal/mol) [20]. ...