Spirofluorene;
Non-fullerene acceptors;
Thiophene;
Density functional theory;
Density of states;
FUNCTIONALS;
D O I:
10.1007/s11082-020-02672-3
中图分类号:
TM [电工技术];
TN [电子技术、通信技术];
学科分类号:
0808 ;
0809 ;
摘要:
Nowadays, world is moving from conventional energy sources to non-conventional energy sources like solar energy, wind power, hydropower and those energy sources which can be regenerate as they are consumes. The current share of solar energy in global energy production is substantially increasing due to its cheap source as compared to conventional sources. With the passage of time, scientist's developed large variety of solar cells but now demand for solar cells (SCs) is to develop new, cheap and more technologically advance low cost small molecule based organic solar cells with non-fullerene acceptors for mass production at industrial scale. Herein current research work, we designed four Spirofluorene based 3D configurated small molecules (M1-M4) and evaluated its different optoelectronic properties by using density functional theory (DFT) and time-dependent density functional theory (TD-DFT). After this theoretical study, we believes that this study would be beneficial in future investigations of donor-acceptor type materials for organic photovoltaic devices.
机构:
Chinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R ChinaChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
Ali, Usman
Javed, Ayesha
论文数: 0引用数: 0
h-index: 0
机构:
Univ Agr Faisalabad, Dept Chem, Faisalabad 38040, PakistanChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
Javed, Ayesha
Amanullah
论文数: 0引用数: 0
h-index: 0
机构:
Univ Agr Faisalabad, Dept Chem, Faisalabad 38040, PakistanChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
Amanullah
Shoaib, Muhammad
论文数: 0引用数: 0
h-index: 0
机构:
Univ Agr Faisalabad, Dept Chem, Faisalabad 38040, PakistanChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
Shoaib, Muhammad
Kashif, Muhammad
论文数: 0引用数: 0
h-index: 0
机构:
Univ Agr Faisalabad, Dept Chem, Faisalabad 38040, PakistanChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
Kashif, Muhammad
Raza, Ali
论文数: 0引用数: 0
h-index: 0
机构:
Univ Agr Faisalabad, Dept Phys, Faisalabad 38040, PakistanChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
Raza, Ali
Cheng, Shi-Bo
论文数: 0引用数: 0
h-index: 0
机构:
Shandong Univ, Sch Chem & Chem Engn, Jinan 250100, Shandong, Peoples R ChinaChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
Cheng, Shi-Bo
Iqbal, Javed
论文数: 0引用数: 0
h-index: 0
机构:
Univ Agr Faisalabad, Punjab Bioenergy Inst, Faisalabad 38040, PakistanChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
机构:
Chinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R ChinaChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
Ali, Usman
Javed, Ayesha
论文数: 0引用数: 0
h-index: 0
机构:
Univ Agr Faisalabad, Dept Chem, Faisalabad 38040, PakistanChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
Javed, Ayesha
Amanullah
论文数: 0引用数: 0
h-index: 0
机构:
Univ Agr Faisalabad, Dept Chem, Faisalabad 38040, PakistanChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
Amanullah
Shoaib, Muhammad
论文数: 0引用数: 0
h-index: 0
机构:
Univ Agr Faisalabad, Dept Chem, Faisalabad 38040, PakistanChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
Shoaib, Muhammad
Kashif, Muhammad
论文数: 0引用数: 0
h-index: 0
机构:
Univ Agr Faisalabad, Dept Chem, Faisalabad 38040, PakistanChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
Kashif, Muhammad
Raza, Ali
论文数: 0引用数: 0
h-index: 0
机构:
Univ Agr Faisalabad, Dept Phys, Faisalabad 38040, PakistanChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
Raza, Ali
Cheng, Shi-Bo
论文数: 0引用数: 0
h-index: 0
机构:
Shandong Univ, Sch Chem & Chem Engn, Jinan 250100, Shandong, Peoples R ChinaChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
Cheng, Shi-Bo
Iqbal, Javed
论文数: 0引用数: 0
h-index: 0
机构:
Univ Agr Faisalabad, Punjab Bioenergy Inst, Faisalabad 38040, PakistanChinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China