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您的检索式：作者名="Guangren Na"
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| 1 | Computational functionality-driven design of semiconductors for optoelectronic applications显示文摘The rapid development of the semiconductor industry has motivated researchers passion for accelerating the discovery of advanced optoelectronic materials.Computational functionality-driven design is an emerging branch of material science that has become effective at making material predictions.By combining advanced solid-state knowledge and high-throughput firstprinciples computational approaches with intelligent algorithms plus database development,experts can now efficiently explore many novel materials by taking advantage of the power of supercomputer architectures.Here,we discuss a set of typical design strategies that can be used to accelerate inorganic optoelectronic materials discovery from computer simulations:In silico computational screening;knowledge-based inverse design;and algorithm-based searching.A few representative examples in optoelectronic materials design are discussed to illustrate these computational functionality-driven modalities.Challenges and prospects for the computational functionality-driven design of materials are further highlighted at the end of the review. | Zhun Liu Guangren Na Fuyu Tian Liping Yu Jingbo Li Lijun Zhang | 2020 | InfoMat2020，2，5： | 4 |
| 2 | N-methyl-2-pyrrolidonium-based Br?nsted-Lewis acidic ionic liquids as catalysts for the hydrolysis of cellulose显示文摘We experimentally studied the catalytic performances of a series of Br?nsted-Lewis acidic N-methyl-2-pyrrolidonium metal chlorides([Hnmp]Cl/MCl_x, where M=Fe, Zn, Al, or Cu) for the hydrolysis of microcrystalline cellulose(MCC) and cotton to produce reducing sugar. A variety of factors, such as temperature, time, ionic liquid(IL) species, IL dosage, and the concentration of the metal chloride were investigated. [Hnmp]Cl/FeCl_3 presented the best hydrolysis performance, affording a 98.8% yield of total reducing sugar from MCC(1 h, 100 °C, 0.1 g MCC, 0.2 g acidic IL, 2.0 g [Bmim]Cl as solvent), which is better than or comparable to results previously obtained with other –SO_3H functionalized acidic ILs. The hydrolysis performances of [Hnmp]Cl/MClx were rationalized using density functional theory calculations, which indicated that interactions between the metal chlorides and the cellulose, including charge-transfer interactions are important in the hydrolysis of cellulose and degradation of glucose. This work shows that Br?nsted-Lewis acidic ILs are potential catalysts for the hydrolysis of cellulose to produce sugar. | Zheng Zhao Na Li Abdul Waheed Bhutto Ahmed A. Abdeltawab Salem S. Al-Deyab Guangqing Liu Xiaochun Chen Guangren Yu | 2016 | Science China Chemistry2016，59，5： | 3 |
| 3 | Stable and luminescent halide perovskite fabricated in water显示文摘Lead bromide perovskite nanoparticles are fabricated in the water,which has been recognized previously as a severe source of damage to halide perovskite materials and devices.The perovskite nanoparticles exhibit a high photoluminescence quantum yield and excellent material stability. | Guangren Na Lijun Zhang | 2020 | Light(Science & Applications)2020，9，1： | 1 |
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