Quantum chemical and solution phase evaluation of metallocenes as reducing agents for the prospective atomic layer deposition of copper

Dey Gangotri; Wrench Jacqueline S.; Hagen Dirk J.; Keeney Lynette; Elliott Simon D.

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Quantum chemical and solution phase evaluation of metallocenes as reducing agents for the prospective atomic layer deposition of copper

机译：茂金属作为还原剂用于铜预期原子层沉积的量子化学和溶液相评估

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We propose and evaluate the use of metallocene compounds as reducing agents for the chemical vapour deposition (and specifically atomic layer deposition, ALD) of the transition metal Cu from metalorganic precursors. Ten different transition metal cyclopentadienyl compounds are screened for their utility in the reduction of Cu from five different Cu precursors by evaluating model reaction energies with density functional theory (DFT) and solution phase chemistry.

机译：我们提出并评估了茂金属化合物作为还原剂的用途，该还原剂用于从金属有机前驱体进行过渡金属Cu的化学气相沉积（特别是原子层沉积，ALD）。通过使用密度泛函理论（DFT）和溶液相化学评估模型反应能，筛选了十种不同的过渡金属环戊二烯基化合物在五种不同的铜前体中还原铜的效用。

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《Dalton transactions: An international journal of inorganic chemistry》 |2015年第22期|共12页
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Dey Gangotri; Wrench Jacqueline S.; Hagen Dirk J.; Keeney Lynette; Elliott Simon D.;
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1. Quantum chemical and solution phase evaluation of metallocenes as reducing agents for the prospective atomic layer deposition of copper [J] . Dey Gangotri, Wrench Jacqueline S., Hagen Dirk J., Dalton transactions: An international journal of inorganic chemistry . 2015,第22期

机译：茂金属作为还原剂用于铜预期原子层沉积的量子化学和溶液相评估
2. Laser-induced chemical liquid phase deposition of copper from aqueous solutions without reducing agents [J] . Kochemirovsky V.A., Menchikov L.G., Tumkin I.I., Quantum electronics . 2012,第8期

机译：在没有还原剂的情况下从水溶液中激光诱导化学液相沉积铜
3. Low-Temperature Atomic Layer Deposition of Copper Films Using Borane Dimethylamine as the Reducing Co-reagent [J] . Lakmal C. Kalutarage, Scott B. Clendenning, Charles H. Winter Chemistry of Materials: A Publication of the American Chemistry Society . 2014,第12期

机译：硼烷二甲胺为还原助剂的铜膜低温原子层沉积
4. Atomic layer chemical vapor deposition of single layers, quantum wells and short period superlattices [C] . International conference on SiC and related materials . 1994

机译：单层，量子孔和短周期超晶格的原子层化学气相沉积
5. Quantum chemical simulations of organometallic systems: Atomic layer deposition of dielectric films and ethylene/styrene copolymerization using a titanium metallocene catalyst. [D] . Han, Joseph H. 2004

机译：有机金属系统的量子化学模拟：介电膜的原子层沉积和使用钛金属茂催化剂的乙烯/苯乙烯共聚。
6. Breakthrough to Non-Vacuum Deposition of Single-Crystal Ultra-Thin Homogeneous Nanoparticle Layers: A Better Alternative to Chemical Bath Deposition and Atomic Layer Deposition [O] . Yu-Kuang Liao, Yung-Tsung Liu, Dan-Hua Hsieh, 2017

机译：单晶超薄均质纳米颗粒层的非真空沉积突破：化学浴沉积和原子层沉积的更好替代方法
7. Mechanism for the atomic layer deposition of copper using diethylzinc as the reducing agent – a density functional theory study using gas phase molecules as a model [O] . Dey Gangotri, Elliott Simon D. 2012

机译：以二乙基锌为还原剂的铜原子层沉积机理–以气相分子为模型的密度泛函理论研究

Quantum chemical and solution phase evaluation of metallocenes as reducing agents for the prospective atomic layer deposition of copper

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