	US 11,912,733 B2
	LHP synthesis simulating method and apparatus
Hoon Ryu, Daejeon (KR); and Ki Ha Hong, Daejeon (KR)
Assigned to Korea Institute of Science & Technology Information, (KR)
Appl. No. 17/285,570
Filed by Korea Institute of Science & Technology Information, Daejeon (KR)
PCT Filed Sep. 25, 2019, PCT No. PCT/KR2019/012476 § 371(c)(1), (2) Date Apr. 15, 2021, PCT Pub. No. WO2020/080694, PCT Pub. Date Apr. 23, 2020.
Claims priority of application No. 10-2018-0123676 (KR), filed on Oct. 17, 2018.
Prior Publication US 2022/0064193 A1, Mar. 3, 2022
Int. Cl. C07F 7/24 (2006.01)

CPC C07F 7/24 (2013.01)

13 Claims

1. A lead halide perovskite (LHP) synthesis simulation apparatus comprising:

a virtual material disposition unit configured to dispose CH₃NH₃Pb₃X1₃(where X1 is one of iodine (I), bromine (Br), and chlorine (Cl)), as a host material, and CH₃NH₃Pb₃X2₃(where X2 is one of iodine (I), bromine (Br), and chlorine (CO, which is different from the X1) in a microscopic cell so as to be uniform with each other or to be segregated from each other; and

a processor configured to calculate an energy band gap of the microscopic cell based on at least one of shape information, size information, origin information, and material information of the microscopic cell and information about an energy band gap of each of CH₃NH₃Pb₃I₃, CH₃NH₃Pb₃Br₃, and CH₃NH₃Pb₃Cl₃when CH₃NH₃Pb₃X1₃and CH₃NH₃Pb₃X2₃are disposed.